Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE008761 |
ID: | TCMBANKHE008761 |
植物拉丁名: |
|
功能与主治: | To activate blood circulation and stimulate menstrual discharge, and to remove blood stasis and relieve pain./Amenorrhea, dysmenorrhea, retention of lochia, angina pectoris, cerebral thrombosis, neurodermatitis, concretion and conglomeration, lump glomus, knocks and falls, swollen pain due to bleeding. |
药用植物名: | 红花 |
药用部位: | flower |
药味: | Warm; Pungent |
经络: | Liver; Heart |
临床特征: | 1. Its decoction stimulates uteri and intestines of experimental animals in vitro.2. It sdecoction increases coronary flow and lowers blood pressure in dogs.3. Small dose of its decoction mildly stimulates and large dose inhibits the heart of toads. |
治疗类型: | 活血祛瘀药 |
TCM_ID_id: | 2474 |
SymMap_id: | 168 |
TCMSP_id: | 343 |
植物对应的化合物
| 化合物ID | 化合物名 | 别名 | 分子式 | 分子质量 | Smiles |
|---|
| TCMBANKIN000004 | quercetagetin | 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- (9CI); 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-chromenone; 3,3',4',5,6,7-Hexahydroxyflavone; NSC115916; 2-(3,4-Dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4-benzopyrone; Quercetagetin; C10122; 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxy-4H-chromen-4-one; Bitalosidin; 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one; 90-18-6; NSC 115916; AIDS-001410; SCHEMBL12470189; AIDS001410; 3,3′,4′,5,6,7-Hexahydroxyflavone; MYU; Flavone, 3,3',4',5,6,7-hexahydroxy- (8CI); LMPK12111482; 3,3'4,5,6,7-hexOH-Flavone; 3',4',5,6,7,8-Hexahydroxyflavone; 3,5,6,7-Tetrahydroxy-2-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one; 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxy-chromen-4-one; Flavone, 3,3',4',5,6,7-hexahydroxy-; Bitalgenin; EINECS 201-973-6; ST5331681; 6-Hydroxyquercetin; 5,6,7,8,3',4'-Hexahydroxyflavone; 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-chromone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxy-; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy- | C15H10O8 | 318.24 | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)O)O)O |
| TCMBANKIN000026 | flavanol | C15H14O2 | C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)O | ||
| TCMBANKIN000100 | lauric acid | NCGC00090919-01; CHEBI:30805; n-Dodecanoic acid; Hydrofol acid 1255; Wecoline 1295; Neo-Fat 12-43; 8045-27-0; WLN: QV11; AI3-00112; AIDS-049202; 61609_FLUKA; Dodecylcarboxylate; DAO; EINECS 205-582-1; L-ALFA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL; CCRIS 669; W261408_ALDRICH; lauric acid ; 8000-62-2; DODECANOIC ACID (LAURIC ACID); C-1297; 7632-48-6; ST023796; NSC5026; Laurinsaeure; C02679; [2-((1-OXODODECANOXY-(2-HYDROXY-3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-TRIMETHYLAMMONIUM; Dodecoic acid; Laurostearic acid; NCGC00090919-02; 4-02-00-01082 (Beilstein Handbook Reference); lauricacid; Ninol AA62 extra; InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14; Lauric acid (natural); Aliphat No. 4; NSC-5026; Coconut oil fatty acids; Lauric acid, pure; 203714-07-2; NCIOpen2_009480; CH3-[CH2]10-COOH; Dodecylic acid; Neo-Fat 12; AIDS049202; C12 fatty acid; HSDB 6814; Dodecanoic acid; L556_ALDRICH; Lauric acid; LAP; Univol U-314; FEMA No. 2614; 1-Undecanecarboxylic acid; Vulvic acid; 143-07-7; BRN 1099477; Duodecylic acid; LAU; W261416_ALDRICH; LMFA01010012; L4250_SIGMA; Hydrofol acid 1295 | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O |
| TCMBANKIN000427 | VIV | T1539_SIGMA; NSC 82623; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol; (+-)-alpha-Tocopherol; BRN 0094012; 5,7,8-Trimethyltocol; (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL; 6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-; T3634_SIGMA; Prestwick_653; 10191-41-0; 59-02-9; Pheryl-E; 1406-18-4; SMR000471844; Ephanyl; MLS001066396; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; nchembio730-comp13; 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol; Vita plus E; CCRIS 5853; (+)-alpha-Tocopherol; CHEBI:18145; 25094-97-7; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)- (9CI); 16826-11-2; BPBio1_000362; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol; Tocopherol (R,S); EINECS 215-798-8; ZINC04095858; Prestwick3_000404; LMPR02020001; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-; C02477; AIDS-072178; (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; 89550_FLUKA; Vitamin E; NCGC00142625-01; ST073358; 5-17-04-00168 (Beilstein Handbook Reference); 4072-33-7; 181591-70-8; alpha-Tocopherol; NCGC00142625-04; BSPBio_000328; NCGC00142625-03; (+-)-Med-E; (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol; EINECS 218-197-9; AIDS072178; EINECS 233-466-0; 11105-14-9 | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C |
| TCMBANKIN000631 | Onjixanthone I | 7-hydroxy-1,2,3-trimethoxy-xanthone; AC1NSZAM; 7-hydroxy-1,2,3-trimethoxy-9-xanthenone; onjixanthone i; 7-hydroxy-1,2,3-trimethoxyxanthen-9-one; 7-hydroxy-1,2,3-trimethoxy-xanthen-9-one | C16H14O6 | 302.28 g/mol | COC1=C(C(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)OC)OC |
| TCMBANKIN002907 | guanosine | Guanosine, hydrate; s3068; CTK0F0492; Guanosine hydrate (1:1); 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihyd; YCHNAJLCEKPFHB-GWTDSMLYSA-N; Guanosine, hydrate (1:1); Z-4761; SCHEMBL555106; AK645793; 1143525-19-2; MolPort-003-935-435; guanosine-hydrate; AK607682; 2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one hydrate(1:x); 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one hydrate; 2451AH; 294B1373-E8C3-442D-8240-D7EA2650B160; AKOS030573276; 141433-61-6; ro-6H-purin-6-one hydrate; 2-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one hydrate; Guanosine Hydrate; B3678 | C10H13N5O5 | 283.24 | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N |
| TCMBANKIN004240 | (2R,6R,10R)-6,10,14-trimethylpentadecan-2-ol | C18H38O | 270.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(C)O | |
| TCMBANKIN005306 | 2-Hexanoylfuran | 2-hexanoylfuran; 1-(2-furyl)hexan-1-one; 1-Hexanone, 1-(2-furyl)-; 14360-50-0; 1-(2-Furanyl)-1-hexanone; FR-1262; FEMA No. 3418; Pentyl 2-furyl ketone; NSC27361; SBB008342; NSC 27361; 1-(2-Furyl)-1-hexanone; AI3-26556; 1-Hexanone, 1-(2-furanyl)-; EINECS 238-333-0; InChI=1/C10H14O2/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H; 1-furan-2-ylhexan-1-one; 2-Furyl pentyl ketone; 2-Furyl n-pentyl ketone; 1-(2-Furyl)hexanone | C10H14O2 | 166.22 | CCCCCC(=O)C1=CC=CO1 |
| TCMBANKIN006009 | (2R)-5-methylhexan-2-ol | ZINC02031629 | C7H16O | 116.2 | |
| TCMBANKIN006396 | quercetin-6-glucoside | 480.41 | |||
| TCMBANKIN006428 | Sitoindoside II | [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-octadec-9-enoate; beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl, 6-(9-octadecenoate), (Z)-; [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl e; beta-Sitosterol 3-O-(6-O-oleoyl)-beta-D-glucopyranoside; [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-oxan-2-yl]methyl (Z)-octadec-9-enoate; (Z)-octadec-9-enoic acid [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-tetrahydropyranyl]methyl est; 53657-29-7 | C53H92O7 | 841.29 | CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)O)O)O |
| TCMBANKIN006892 | dehydrosafynol | Dehydrosafynol; 1540-85-8; C08447; DTXSID00415074; (E,2R)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol; (2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol; AC1NQY3W; CHEBI:4370; LMFA05000649 | C13H10O2 | 198.22 g/mol | CC=CC#CC#CC#CC#CC(CO)O |
| TCMBANKIN007431 | Linoleyl acetate | octadeca-9,12-dien-1-yl acetate; acetic acid [(9E,12E)-octadeca-9,12-dienyl] ester; [(9E,12E)-octadeca-9,12-dienyl] ethanoate; 5999-95-1; FT-0635935; linoleyl acetate; [(9E,12E)-octadeca-9,12-dienyl] acetate | C20H36O2 | 308.5 | CCCCCC=CCC=CCCCCCCCCOC(=O)C |
| TCMBANKIN007890 | [(2S)-2,3-dihydroxypropyl] octanoate | (C10-C12) Fatty acids, glycerol ester; EINECS 268-636-3; 68132-29-6; octanoic acid [(2S)-2,3-dihydroxypropyl] ester; Glycerides, C10-12 | C11H22O4 | 218.29 g/mol | CCCCCCCC(=O)OCC(CO)O |
| TCMBANKIN008084 | Daturic acid | 67701-03-5; daturicacid; n-Heptadecylic acid; EINECS 266-928-5; 51610_FLUKA; 67255-22-5; 68424-37-3; NSC3743; (C16-C18)Alkylcarboxylic acid; WLN: QV16; NSC 3743; SDA 19-005-00; 8043-36-5; CH3-[CH2]15-COOH; EINECS 264-123-3; 506-12-7; LMFA01010017; AI3-36481; EINECS 208-027-1; Lead(2+) heptadecanoate; 37231-04-2; Margaric acid; 45237-52-3; n-Heptadecanoic acid; 7722-21-6; 63399-94-0; Heptadecylic acid; n-Heptadecoic acid; 39390-60-8; heptadecoic acid; 8000-11-1; (C16-C18) Alkylcarboxylic acid; daturic acid; C14-C22 Fatty acid residue; Heptadecanoic acid; Margarinsaeure; 8034-57-9; CHEBI:32365; Fatty acids, C14-22; 28829-31-4; 8034-58-0; 1338-46-1; 52051-63-5; EINECS 270-298-7; 8034-56-8; 4-02-00-01193 (Beilstein Handbook Reference); Fatty acids, C16-18; BRN 1781004; 176435-16-8; 45237-51-2; H3500_SIGMA; Margarinic acid | C17H34O2Pb | 478 g/mol | CCCCCCCCCCCCCCCCC(=O)O.[Pb] |
| TCMBANKIN008307 | 6-hydroxykaempferol-3,6-di-O-beta-D-glucoside | 626.57 | |||
| TCMBANKIN009026 | qt_safflow-yellow-A | 448.41 | |||
| TCMBANKIN009040 | Benzyl glucopyranoside | 4304-12-5; TimTec1_005150; Benzyl .beta.-D-glucopyranoside; AIDS-186169; benzyl glucopyranoside; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(phenylmethoxy)tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(phenylmethoxy)oxane-3,4,5-triol; AIDS186169; ACon1_002322; (2R,3R,4S,5S,6R)-2-(benzyloxy)-6-methylol-tetrahydropyran-3,4,5-triol | C13H18O6 | 270.28 g/mol | C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O |
| TCMBANKIN009262 | ZINC01666986 | 340308_ALDRICH; (2R)-hexan-2-ol; (R)-(−)-2-Hexanol | C6H14O | 102.17 | CCCCC(C)O |
| TCMBANKIN009801 | Safynol | safynol; AC1O5XQ1; LMFA05000697; C08458; (2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol; 27978-14-9; (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol; (2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol | C13H12O2 | 200.23 | CC=CC#CC#CC#CC=CC(CO)O |
| TCMBANKIN009949 | qt_safflomin-C | 452.44 | |||
| TCMBANKIN010629 | junipene | longifolene; (+)-longifolene | C15H24 | 204.35 | CC1(CCCC2(C3C1C(C2=C)CC3)C)C |
| TCMBANKIN011830 | 6-hydroxykaempferol-3-O-glucoside | 464.41 | |||
| TCMBANKIN012268 | L-1,2-Dipalmitin | 1,2-Di-O-palmitoyl-sn-glycerol; Palmitin, 1,2-di-, L- (8CI); Palmitin, L-1,2-di- (6CI); (S)-1,2-Dipalmitin; D9135_SIGMA; Hexadecanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester, (S)-; CMC_12683; hexadecanoic acid [(1S)-1-(hydroxymethyl)-2-(1-oxohexadecoxy)ethyl] ester; 1,2-Dihexadecanoyl-sn-glycerol; (S)-Glycerol 1,2-dipalmitate; CMC_7218; [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] hexadecanoate; CMC_8101; Hexadecanoic acid, (1S)-1-(hydroxymethyl)-1,2-ethanediyl ester (9CI); 1,2-Dipalmitoyl-sn-glycerol; CMC_6810; CMC_11730; [(2S)-1-hexadecanoyloxy-3-hydroxy-propan-2-yl] hexadecanoate; [(2S)-1-hexadecanoyloxy-3-hydroxypropan-2-yl] hexadecanoate; palmitic acid [(1S)-1-(hexadecanoyloxymethyl)-2-hydroxy-ethyl] ester; DG(16:0/16:0/0:0); hexadecanoic acid, (1S)-2-hydroxy-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester; LMGL02010009; CMC_10485; sn-1,2-Dipalmitin; (S)-(-)-1,2-Dipalmitin | C35H68O5 | 568.9 g/mol | CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC |
| TCMBANKIN012309 | thymopentin | C30H49N9O9 | 679.77 | CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N | |
| TCMBANKIN013510 | Kaempferol-3-O-rutinoside-7-O-galactoside | 772.73 | |||
| TCMBANKIN013614 | hentriacontane-8,10-diol | 468.95 | |||
| TCMBANKIN015095 | safflower-yellow-B | C48H54O27 | 1062.9 g/mol | C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C(C4=C(C(=C(C=CC5=CC=C(C=C5)O)O)C(=O)C(C4=O)(C6C(C(C(C(O6)CO)O)O)O)O)O)C(C(C(C(CO)O)O)O)O)O)O)O | |
| TCMBANKIN015110 | onjixanthone ii | 1,3,6-trihydroxy-2,7-dimethoxyxanthen-9-one; AC1NSZAP; 1,3,6-trihydroxy-2,7-dimethoxyxanthone; SCHEMBL9615436; Onjixanthone II | C15H12O7 | 304.25 g/mol | COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O |
| TCMBANKIN015697 | safflow-yellow-A | 610.57 | |||
| TCMBANKIN015861 | 3-hexanone | C6H12O | 100.16 g/mol | CCCC(=O)CC | |
| TCMBANKIN015934 | neocarthamin | Neocarthamin; (2S)-6,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl beta-D-glucopyranoside; carthamidin 5-O-beta-glucoside; CHEBI:81267; C17675 | C21H22O11 | 450.4 g/mol | C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O |
| TCMBANKIN015950 | chlorohydrin | 162086-EP2284147A2; 157406-EP2284163A2; 157422-EP2284163A2; 157463-EP2284163A2; 157437-EP2284162A2; 157406-EP2275417A2; 157463-EP2275417A2; 157406-EP2284162A2; 157437-EP2284163A2; 157437-EP2275417A2; 162086-EP2284146A2; 157422-EP2284162A2; 157463-EP2284162A2; 157422-EP2275417A2 | C3H4ClO2 | 107.51 g/mol | C(C(=O)CCl)[O] |
| TCMBANKIN016195 | carthamin-precursor | 984.94 | |||
| TCMBANKIN016210 | Flavoxanthin | flavoxanthin; (2R,6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1,5,10,14-tetramethylhexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol; C08594; (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol; 512-29-8; LMPR01070271; (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-6,11,15-trimethyl-heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol; (2R,6S,7aR)-2-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-1,5,10,14-tetramethyl-hexadeca-1,3,5,7,9,11,13,15-octaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol | C40H56O3 | 584.87 | CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CC(CC3(O2)C)O)(C)C)C)C)(C)C)O |
| TCMBANKIN016692 | (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylene-2-norbornanyl]pent-2-en-1-ol | (Z)-2-methyl-5-[(1R,4S,6S)-6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol; (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylene-norbornan-2-yl]pent-2-en-1-ol | C15H24O | 220.35 | |
| TCMBANKIN017941 | qt_hydroxysafflor-yellow-A | 288.27 | |||
| TCMBANKIN018669 | safranal | EBD956040; 2,3-Dihydro-2,2,6-TriMethyl-Benzaldehyde; 1,1,3-Trimethyl-2-formylcyclohexa-2,4-diene; CHEMBL3183495; 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde; AT-2733; EINECS 204-133-7; 2,6,6-Trimethyl-1,3-cyclohexadienecarboxaldehyde, 9CI; CAS-116-26-7; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H; 2,6,6-Trimethyl-1,3-cyclohexadienal; 1-Formyl-2,6,6-trimethyl-1,3-cyclohexadiene; Safranal; 1,3-CYCLOHEXADIENE-1-CARBOXALDEHYDE, 2,6,6-TRIMETHYL-; 2.2.6-Trimethyl-I""4.6-dihydrobenzaldehyd; InChI=1/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3; 3,4-didehydro-7-apo-b-caroten-7-al; AK400488; UNII-4393FR07EA; AC1Q2EVK; Dehydro-beta-cyclocitral; C-02865; AN-22757; LS-3133; Dehydro-b-cyclocitral; DSSTox_GSID_49398; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde;; AC1Q6BK7; FT-0631664; (2,6,6-Trimethylcyclohexa-1,3-dienyl)methanal; DSSTox_RID_83473; FEMA 3389; C17062; Safranal;; 4393FR07EA; 2,6,6-Trimethylcyclohexa-1,3-dienylmethanal; DSSTox_CID_29357; NCGC00260271-01; ZINC1851022; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde;; 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde; AC1L1UF0; SCHEMBL23561; CJ-30568; DB-019750; 116-26-7; FEMA No. 3389; 1,3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-; 2,6,6-Trimethyl-cyclohexa-1,3-diencarbaldehyd;; A803586; 17306_FLUKA; 2,6,6-Trimethylcyclohexa-1,3-dienyl methanal; SGAWOGXMMPSZPB-UHFFFAOYSA-; CHEBI:53169; FCH1119840; SGAWOGXMMPSZPB-UHFFFAOYSA-N; AKOS022504707; Tox21_202723; KB-16884; W338907_ALDRICH; 2,6,6-trimethylcyclohexa-1,3-dienecarbaldehyde; CC-06928; Safranal, >=90%, stabilized; DTXSID7049398; J-003414; 2,6,6-trimethyl-cyclohexa-1,3-dienecarbaldehyde;; 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde #; 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde; VZ22271; CTK7H7827; 2,3-Dihydro-2,2,6-trimethylbenzaldehyde | C10H14O | 150.22 | CC1=C(C(CC=C1)(C)C)C=O |
| TCMBANKIN018728 | alpha-onocerin | (2S,4aR,5S,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]ethyl}-1,1,4a-trimethyl-6-methylenedecahydronaphthalen-2-ol; MolPort-006-111-540; GESZMTVZGWZBPW-IHIDZKKCSA-; 2-Naphthalenol,5,5'-(1,2-ethanediyl)bis[decahydro-1,1,4a-trimethyl-6-methylene-,(2S,2'S,4aR,4'aR,5S,5'S,8aR,8'aR)-; 8,14-secogammacera-8(26),14(27)-diene-3beta,21alpha-diol; (3beta,21alpha)-8,14-Secogammacera-8(26),14(27)-diene-3,21-diol; ZINC38605938; alpha-Onocerol; α-onocerin; C21734; Alpha-onocerin, primary pharmaceutical reference standard; CHEBI:138303; (2S,4AR,5S,8AR)-5-{2-[(1S,4AR,6S,8AR)-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLIDENE-HEXAHYDRO-1H-NAPHTHALEN-1-YL]ETHYL}-1,1,4A-TRIMETHYL-6-METHYLIDENE-HEXAHYDRO-2H-NAPHTHALEN-2-OL; MCULE-4277793393; EINECS 208-118-6; W2391; 511-01-3; InChI=1/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3/t21-,22-,23-,24-,25-,26-,29+,30+/m0/s1; alpha-Onocerin; SC-97924; (+)-alpha-onocerin | C30H50O2 | 442.7 g/mol | CC1(C2CCC(=C)C(C2(CCC1O)C)CCC3C(=C)CCC4C3(CCC(C4(C)C)O)C)C |
| TCMBANKIN018902 | Hydroxybenzoyl-coumaricanhydride | 456.42 | |||
| TCMBANKIN019217 | 7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-dione | 7,8-dimethyl-1H-pyrimido[5,6-g]quinoxaline-2,4-quinone | 242.26 | ||
| TCMBANKIN019652 | D-Phenylalanine | EINECS 211-603-5; Spectrum4_000865; Spectrum5_001137; (2R)-2-amino-3-phenyl-propionic acid; 673-06-3; CHEBI:16998; (2R)-2-amino-3-phenylpropanoic acid; SPECTRUM1503391; KBio1_000453; C02265; KBio2_002205; 78030_FLUKA; KBio2_007341; (2R)-2-amino-3-phenyl-propanoic acid; NINDS_000453; Phenylalanine D-form; NCGC00163338-01; InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12; D-alpha-Amino-beta-phenylpropionic acid; SPBio_001436; CCRIS 6267; KBioSS_002205; IDI1_000453; Spectrum2_001558; NCI-C60195; NSC 25005; DivK1c_000453; (R)-2-Amino-3-phenylpropionic acid; P1751_SIGMA; Spectrum_001725; 10549-11-8; KBio2_004773; KBioGR_001529 | C9H11NO2 | 165.19 | C1=CC=C(C=C1)CC(C(=O)O)N |
| TCMBANKIN019814 | GLV | Formylformic acid; 2-oxo carboxylic acids; 260150_ALDRICH; Glyoxylic acid (8CI); Formic acid, formyl-; CHEBI:16891; GLYOXALATE, GLYOXYLATE; EINECS 206-058-5; Glyoxylic acid solution; Glyoxalsaeure; CHEBI:35910; glyoxylic acid; 298-12-4; Kyselina glyoxylova [Czech]; Acetic acid, oxo-; HSDB 5559; NSC 27785; .alpha.-Ketoacetic acid; Oxoacetic acid; Glyoxylsaeure; Formic acid, formyl; oxaldehydic acid; G1134_SIGMA; Acetic acid, oxo- (9CI); CCRIS 1455; alpha-Ketoacetic acid; WLN: VHVQ; BRN 0741891; NSC27785; glyoxalate; Acetic acid, oxo; Oxalaldehydic acid; 2-oxo monocarboxylic acids; 4-03-00-01489 (Beilstein Handbook Reference); GLYOX; Glyoxalic acid; 2-Oxo acid; Oxoethanoic acid; 50711_FLUKA; C00048 | C2H2O3 | 74.04 | C(=O)C(=O)O |
| TCMBANKIN020078 | luteolin-7-0-B-D-glucoside | 580.54 | |||
| TCMBANKIN020566 | 947-59-1 | tricyclo[4.4.0.0~2,7~]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, (8R)-; 8-isopropyl-1,3-dimethyltricyclo[4.4.0.0~2,7~]dec-3-ene; InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13?,14?,15?/m1/s; 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1,5-cyclo-naphthalene | C15H24 | 204.35 | CC1=CCC2C3C1C2(CCC3C(C)C)C |
| TCMBANKIN021595 | phospholipid | 673.89 | CCCCCCCCCCP(=O)(O)OC(COCCCCCCCCCC(=O)OC)COP(=O)([O-])OCC[N+](C)(C)C | ||
| TCMBANKIN022465 | (E,Z)-2,8-Decadien-4,6-diyn-1-yl 3-methylbutanoate | 3-methylbutyric acid [(2E,8Z)-deca-2,8-dien-4,6-diynyl] ester; 3-methylbutanoic acid [(2E,8Z)-deca-2,8-dien-4,6-diynyl] ester; [(2E,8Z)-deca-2,8-dien-4,6-diynyl] 3-methylbutanoate | C15H18O2 | 230.3 g/mol | CC=CC#CC#CC=CCOC(=O)CC(C)C |
| TCMBANKIN023012 | Pyrethrin II | (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester; CHEBI:27474; [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate; pyrethrinII; C09894; ZINC3875843; AC1O5YFK; [(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate; (1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate; (1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid [(1S)-4-keto-2-methyl-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] ester; 121-29-9; pyrethrin ii; [(1S)-2-methyl-4-oxo-3-[(2E)-penta-2,4-dienyl]cyclopent-2-en-1-yl] (1R,3R)-3-[(Z)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate | C22H28O5 | 372.45 | CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C |
| TCMBANKIN025258 | qt_Kaempferol-3-O-rutinoside-7-O-galactoside | 624.6 | |||
| TCMBANKIN025459 | aldehydo-D-galactose | CHEBI:17118; (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal; aldehydo-D-galacto-hexose | C6H12O6 | 180.16 | C(C(C(C(C(C=O)O)O)O)O)O |
| TCMBANKIN025583 | qt_carthamin-precursor | 660.62 | |||
| TCMBANKIN025993 | l-Verbenone | 1196-01-6; 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one; ZINC00967601; (1S,5S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-4-one; bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-; AI3-23128; (1S,5S)-2,7,7-trimethyl-4-bicyclo[3.1.1]hept-2-enone; Verbenone, (L)-; Pin-2-en-4-one; BB_NC-0220; Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; InChI=1/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H; NSC 6831; EINECS 214-807-2 | C10H14O | 150.22 | CC1=CC(=O)C2CC1C2(C)C |
| TCMBANKIN026002 | sesquiterpene | quercetin-3-7-O-diglucoside | C30H34O13 | 602.6 g/mol | CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O |
| TCMBANKIN026300 | Amoenin A3 | 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; AIDS-209518; AIDS209518; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(beta-D-mannopyranosyloxy)-; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; amoenin a3; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone | C21H20O11 | 448.4 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN026351 | N1,N5-(Z)-N10-(E)-tri-p-coumaroylspermidine | 583.74 | |||
| TCMBANKIN026485 | safflomin a | AC1O5ZFL; 146087-19-6; X1163; MolPort-023-220-746; hydroxysafflor-yellow-A; C27H32O16; Safflomin A; HY-N0567; 78281-02-4; 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-prop-2-en-1-yl)]cyclohexa-2,5-dien-1-one; CS-4544; (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione; AN-36701; MolPort-039-052-304; 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)]-2,5-cyclohexadien-1-one; CHEBI:139030; Hydroxy safflor yellow A; 281H024; LS-185836; 2,5-Cyclohexadien-1-one, 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-; HSYA; W-201291; Hydroxysafflor Yellow A; 2-Hydroxy-4-(€-3-(4-hydroxyphenyl)acryloyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethy, AldrichCPR; (6E)-2,5-dihydroxy-6-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-2,4-bis[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]cyclohex-4-ene-1,3-dione | C27H32O16 | 612.5 g/mol | C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O |
| TCMBANKIN026513 | hydroxysafflor-yellow-A | C27H32O16 | 612.53 | C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O | |
| TCMBANKIN026920 | saffloryellow | C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(O)OC4C(C(C(C(O4)CO)O)O)O)OC5C3OC(C(C5O)O)CO)O)O | |||
| TCMBANKIN027655 | MEGxp0_000365 | C34H37N3O6 | 583.7 g/mol | C1=CC(=CC=C1C=CC(=O)NCCCCN(CCCNC(=O)C=CC2=CC=C(C=C2)O)C(=O)C=CC3=CC=C(C=C3)O)O | |
| TCMBANKIN027687 | ZINC01692449 | (3R)-pent-1-en-3-ol | C5H10O | 86.13 | |
| TCMBANKIN027893 | carthamone | LMPK12120410 | C15H10O6 | 286.24 | C1=CC(=CC=C1C=CC(=O)C2=C(C(=O)C(=O)C=C2O)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN027974 | L-Lysin | AI3-26523; h-Lys-oh; 3H-Lysine; EINECS 200-294-2; Lysine, L-; 20166-34-1; 48050-57-3; 2,6-Diaminohexanoic acid, (S)-; Hydrolysine; Lysine homopolymer, L-; Lysinum [Latin]; (S)-2,6-Diaminocaproic acid; Gidrolizin; L-Lysine, homopolymer; 280114-50-3; D02304; L5501_SIGMA; 12798-06-0; nchembio861-comp2; LYS (IUPAC abbreviation); Polylysine; 4-04-00-02717 (Beilstein Handbook Reference); (2S)-2,6-diaminohexanoic acid; L-Lysine, labeled with tritium; (S)-Lysine; (S)-alpha,epsilon-Diaminocaproic acid; L-103; L-Norleucine, 6-amino-; W384704_ALDRICH; Lisina [Spanish]; Aminutrin; alpha-Lysine; (2S)-2,6-Diamino-hexanoic acid; (S)-2,6-diaminohexanoic acid; 25104-18-1; CHEBI:18019; L9037_SIGMA; Hexanoic acid, 2,6-diamino-, (S)-; Hydrolysin; 62840_FLUKA; C00047; BRN 1722531; 6899-06-5; HSDB 2108; Lysine [USAN:INN]; Lysine (USAN); 26714-32-9 | C6H12N2O | 128.17 g/mol | C(CCN)C[CH+]C(=O)[NH-] |
| TCMBANKIN028178 | CYCLODODECANOL | FS003015; NSC524960; EINECS 217-031-2; ZINC03860295; NCGC00164257-01; NSC 524960; 1724-39-6; 28720_FLUKA; ST5330592; HSDB 5850 | C12H24O | 184.32 | C1CCCCCC(CCCCC1)O |
| TCMBANKIN028334 | sagittariol | (2R)-1-[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-2-methylbut-3-en-2-ol; AC1NT04X | C20H34O2 | 306.5 g/mol | CC1CCC2(C(C1(C)CCC(C)(C=C)O)CCC=C2CO)C |
| TCMBANKIN028379 | LUT | (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-ol; 95507_FLUKA; (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-2-en-1-ol; (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL, LUTEIN; alpha-Carotene-3,3'-diol; (1R,4R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-2-enol; X6250_SIGMA; beta, epsilon-carotene; beta, epsilon-carotene-3,3′-diol | C40H56O2 | 568.87 | CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C |
| TCMBANKIN028711 | dehydroshikimicacid | dehydroshikimic acid; AC1NE398; 3,4-dihydroxy-5-oxocyclohexene-1-carboxylic acid | C7H8O5 | C1C(=CC(C(C1=O)O)O)C(=O)O | |
| TCMBANKIN029119 | Diamylphenol | 2,4-diamylphenol; 28652-04-2; 2,4-DIPENTYLPHENOL; Phenol, diamyl-; Phenol, 2,4-dipentyl-; DIPENTYLPHENOL; Phenol, dipentyl-; AI3-00426; 138-00-1 | C16H26O | 234.38 g/mol | CCCCCC1=CC(=C(C=C1)O)CCCCC |
| TCMBANKIN029587 | propanetriol-a-arabinofuranosyl(1→4) | 342.34 | |||
| TCMBANKIN029660 | qt_safflower-yellow-B | 766.76 | |||
| TCMBANKIN029703 | Nonacosanol | NSC53831; ST51047623; MCULE-4704803998; CTK0J4328; nonacosanol; 25154-56-7; SBB061616; 6624-76-6; KE2MXY103L; Nonacosanol, nonacosan-1-ol; DTXSID40216446; nonacosan-1-ol; AC1L6C4S; LMFA05000457; NSC-53831; AKOS024391052; SCHEMBL16265; UNII-KE2MXY103L; ZINC62240772; 1-Nonacosanol | C29H60O | 424.79 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| TCMBANKIN029758 | Isovaleroxy-hydroxy dihydrovaltrate | isovaleroxy-hydroxy dihydrovaltrate; [1-acetyloxy-4a-hydroxy-6-(3-methylbutanoyloxy)spiro[1,5,6,7a-tetrahydrocyclopenta[c]pyran-7,2'-oxirane]-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate; AC1NSX6L | C27H40O11 | 540.67 | CC(C)CC(=O)OC1CC2(C(C13CO3)C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)C)O |
| TCMBANKIN030599 | tinctorimine | 595.56 | |||
| TCMBANKIN030928 | qt_safflomin-A | 288.27 | |||
| TCMBANKIN030975 | lignan | ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl; AC1L64PD; NSC93090; J3.625.444K; AKOS030600072; SCHEMBL30935; DTXSID90293944; CTK5C2772; AK642709; Lignan; 6549-68-4; ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate; ethyl 6,7-dimethoxy-3-methyl-4-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-naphthalene-2-carboxylate; NSC-93090; AC1Q6N8A | C25H30O8 | 458.5 g/mol | CCOC(=O)C1C(C(=O)C2=CC(=C(C=C2C1C3=CC(=C(C(=C3)OC)OC)OC)OC)OC)C |
| TCMBANKIN031435 | qt_carthamin | 620.55 | |||
| TCMBANKIN031919 | Ethone | NCGC00166027-01; BRN 0605384; Orthoformic acid ethyl ester; 122-51-0; Orthomravencan ethylnaty; diethoxymethoxyethane; ZINC00391827; Ethyl orthoformate [UN2524] [Flammable liquid]; Orthoformic acid, ethyl ester; Ethyl formate(ortho); NSC5289; T60453_ALDRICH; Triethylester kyseliny orthomravenci [Czech]; Ethylester kyseliny orthomravenci; 1,1',1''-[methanetriyltris(oxy)]triethane; 304050_SIAL; Triethoxymethane; Ethane, 1,1',1''-(methylidynetris(oxy))tris-; ST5214400; 1,1',1'-(Methylidynetris(oxy))tris(ethane); InChI=1/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H; UN2524; Triethyl orthoformate; Aethon; AI3-24333; EINECS 204-550-4; 108055-42-1; 1,1,1-Triethoxymethane; Orthoformic acid triethyl ester; Orthoformic acid, triethyl ester; 4-02-00-00025 (Beilstein Handbook Reference); WLN: 2OYO2 & O2; Ethylester kyseliny orthomravenci [Czech]; Ethyl orthoformate; Ethane, 1,1',1''-[methylidynetris(oxy)]tris-; NSC 5289; 60388_RIEDEL; Orthoformic acid ethyl ester (VAN); Orthomravencan ethylnaty [Czech]; Methane, triethoxy-; 75530_FLUKA | C7H16O3 | 148.2 g/mol | CCOC(OCC)OCC |
| TCMBANKIN033471 | ZINC01690417 | (3R)-hexan-3-ol | C6H14O | 102.17 | |
| TCMBANKIN033712 | Dihydroaplotaxene | dihydroaplotaxene; (8Z,11Z)-heptadeca-1,8,11-triene; (Z,Z)-1,8,11-Heptadecatriene; EINECS 260-005-0; 56134-03-3; 1,8,11-Heptadecatriene, (Z,Z)-; (Z,Z)-Heptadeca-1,8,11-triene | C17H30 | 234.42 | CCCCCC=CCC=CCCCCCC=C |
| TCMBANKIN033725 | qt_carthamone | 286.25 | |||
| TCMBANKIN034190 | clinodiside a | C48H78O19 | 959.1 g/mol | CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CC(C5C4(CCC(C5)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)(C)CO)C)C)O)CO)C | |
| TCMBANKIN034457 | Dipalmitin | Glyceryl 1,3-dipalmitate; alpha,gamma-Dipalmitin; D1639_SIGMA; ST5411663; 1,3-Di-(hexadecanoyl)-glycerol; AIDS027291; Hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester; Glyceryl dipalmitate; 1,3-Dipalmitin; EINECS 207-942-3; Glycerol dipalmitate; 1,3-Dihexadecanoylglycerol; Hexadecanoic acid, diester with 1,2,3-propanetriol; 2-Hydroxypropane-1,3-diyl dipalmitate; hexadecanoic acid [2-hydroxy-3-(1-oxohexadecoxy)propyl] ester; 1,3-Dipalmitoyl-glycerol; (3-hexadecanoyloxy-2-hydroxy-propyl) hexadecanoate; Palmitin, 1,3-di-; 26657-95-4; (3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate; 502-52-3; EINECS 247-886-7; AI3-03501; palmitic acid (3-hexadecanoyloxy-2-hydroxy-propyl) ester; AIDS-027291 | C35H68O5 | 568.9 g/mol | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O |
| TCMBANKIN035446 | [(Z)-dec-8-en-4,6-diynyl] 3-methylbutanoate | 3-methylbutanoic acid [(Z)-dec-8-en-4,6-diynyl] ester; 3-methylbutyric acid [(Z)-dec-8-en-4,6-diynyl] ester; (Z)-8-decen-4,6-diyn-1-yl 3-methylbutanoate | C15H20O2 | 232.32 g/mol | CC=CC#CC#CCCCOC(=O)CC(C)C |
| TCMBANKIN036116 | qt_precarthamin | 316.38 | |||
| TCMBANKIN036152 | tagetiin | C21H20O13 | 480.4 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C(=C3O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | |
| TCMBANKIN036178 | safflomin-A | C27H32O16 | 612.53 | C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O | |
| TCMBANKIN036183 | 6-hydroxykaempferol-3-O-beta-D-glucoside | 464.41 | |||
| TCMBANKIN036297 | 6-Hydroxykynurenate | 2-Quinolinecarboxylic acid, 4,6-dihydroxy-; 3778-29-8; C05663; 6-hydroxy-4-oxo-1H-quinoline-2-carboxylic acid; C08480; 6-Hydroxykynurenic acid; 6-hydroxy-4-keto-1H-quinoline-2-carboxylic acid; Quinaldic acid, 4,6-dihydroxy- | C10H7NO4 | 205.17 | C1=CC2=C(C=C1O)C(=O)C=C(N2)C(=O)O |
| TCMBANKIN036312 | 20-Hexadecanoylingenol | 20-hexadecanoylingenol | C36H58O6 | 586.94 | CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C |
| TCMBANKIN036816 | baicalin | 21967-41-9; STOCK1N-21299; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid; 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid; C10025; Baicalin; AIDS001402; 100647-26-5; 7-D-Glucuronic acid-5,6-dihydroxyflavone; 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid; 31564-28-0; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-keto-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; Baicalein-7-D-glucuronide; TJN-151; CHEBI:2981; (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl; LMPK12111081; baicalin ; 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid; Baicalein 7-O-glucuronide; 27462-75-5; Baicalein 7-glucuronide; AIDS-001402; (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-7-chromenyl)oxy]-3,4,5-trihydroxy-2-tetrahydropyrancarboxylic acid; 572667_ALDRICH | C21H18O11 | 446.36 | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
| TCMBANKIN036901 | myristic acid | 1-Tridecanecarboxylic acid; Myristinsaeure; CH3-[CH2]12-COOH; 70079_FLUKA; AI3-15381; LMFA01010014; CH3-[CH2]12-COO(-); NCGC00091068-02; Myristic acid-[9,10-3H]; C06424; Emery 655; myristic acid ; NSC 5028; 70082_FLUKA; C14 fatty acid; ST023797; W276405_ALDRICH; CCRIS 4724; Kortacid 1499; 3uev; TUNFSRHWOTWDNC-UHFFFAOYSA-M; Tetradecanoic acid; EINECS 250-924-5; n-Tetradecoic acid; 4-02-00-01126 (Beilstein Handbook Reference); Hydrofol acid 1495; MYR; BRN 0508624; Myristate; Myristic acid (natural); Tetradecanoate; LS-190125; Crodacid; Myristic acid (8CI); EINECS 208-875-2; Prifac 2942; Myristic acid; AIDS002505; tetradecoate; W276413_ALDRICH; FEMA No. 2764; HSDB 5686; Philacid 1400; CHEBI:28875; Edenor C 14; n-tetradecoate; 45184-05-2; myristicacid; tetradecoic acid; n-Tetradecanoic acid; M3128_SIGMA; AIDS-002505; Univol U 316S; Lead dimyristate; AC1N2PSK; NCGC00091068-01; neo-Fat 14; NSC5028; Tetradecanoic acid (9CI); Hystrene 9014; Myristic acid, pure; M4792_SIGMA; CHEBI:30807; n-Tetradecan-1-oic acid; WLN: QV13; 1-tetradecanecarboxylate; 32112-52-0; n-tetradecan-1-oate; 544-63-8 | C14H28O2 | 228.371 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN036917 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN038361 | Lupeol palmitate | lupeol-palmitate | 665.1 g/mol | ||
| TCMBANKIN038446 | (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne | AC1NS2VD; (3E,5Z)-trideca-1,3,5-trien-7,9,11-triyne; AJWRNFIZKHPOHC-STRRHFTISA-N; (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne | 166.22 g/mol | ||
| TCMBANKIN039554 | hexanoic acid | (C6-C12) Alkylcarboxylic acid; n-Hexoic acid; BRN 0773837; Hexanoyl DL-carnitine; AC1O52RE; hexanoicacid; 142-62-1; Hexanoic acid (natural); n-Hexanoic acid; CCRIS 1347; Hexacid 698; 153745_ALDRICH; Hexanoic acid; 13476-79-4; 8040-17-3; 51109-46-7; AI3-07701; WLN: QV5; VVPRQWTYSNDTEA-UHFFFAOYSA-N; 19455-00-6; (C5-C9) Monobasic acids; Pentylformic acid; Hexanoyl-d,l-carnitine; Capronic acid; Butylacetic acid; Kyselina kapronova [Czech]; 4-02-00-00917 (Beilstein Handbook Reference); C01585; 1-Pentanecarboxylic acid; UN2829; 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate; Fatty acids, C6-12; (C6-C12)Alkylcarboxylic acid; W255912_ALDRICH; NSC8266; CAPROIC ACID; CH3-[CH2]4-COOH; LMFA01010006; HEXANOIC ACID (CAPROIC ACID); n-Caproic acid; EINECS 267-013-3; CHEBI:30776; Hexanoylcarnitine; 68603-84-9; 70248-25-8; 21529_FLUKA; HSDB 6813; 3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate; Carboxylic acids, C5-9; NSC 8266; NCIOpen2_005355; LMFA07070070; 1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, chloride (1:1); EINECS 205-550-7; SCHEMBL235082; 1-Hexanoic acid; Pentanecarboxylic acid; Acid C-6; Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-; H12137_ALDRICH; W255904_ALDRICH; 16571-42-9; Hexylic acid; AIDS212980; Caproic acid [UN2829] [Corrosive]; FEMA No. 2559; 67762-36-1; n-Hexylic acid; Hexoic acid; Pentiformic acid; EINECS 274-509-3; 6418-78-6; AIDS-212980; 53896-26-7; CTK4C6070; EINECS 271-676-4; Hexanoic acid ester with (3-carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt; CHEBI:70749; InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8; O-hexanoylcarnitine; 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexyl)oxy]-, inner salt; 3-(hexanoyloxy)-4-(trimethylammonio)butanoate | C6H12O2 | 116.158 | C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] |
| TCMBANKIN040724 | gamma-tocotrienol | CHEBI:33277; (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol; (R)-gamma-Tocotrienol; (R-(E,E))-3,4-Dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol; C14155; Plastochromanol 3; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-; 2H-1-benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-; 7,8-Dimethyltocotrienol; 6-Chromanol, 2,7,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)- (7CI,8CI); 14101-61-2; D-gamma-Tocotrienol; (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-6-chromanol; (2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)- (9CI) | C28H42O2 | 411 | c1(O[H])c([H])c(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])\C([H])=C(/C([H])([H ])[H])\C([H])([H])[H])O2)c2c(C([H])([H])[H])c1C([H])([H])[H] |
| TCMBANKIN040768 | Phytoene | 7,8,11,12,7',8',11',12'-octahydro-psi,psi-carotene; NSC378840; 540-04-5; 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene; all-trans-phytoene; NSC 378840; C05413; Lycopene, 7,7',8,8',11,11',12,12'-octahydro-, all-trans-; phytoene; 13832-75-2; 7696-40-4; LMPR01070254; (6E,10E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene; .psi.,.psi.-Carotene, 7,7',8,8',11,11',12,12'-octahydro-; psi,psi-Carotene, 7,7',8,8',11,11',12,12'-octahydro-; 7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene; CHEBI:8191 | 545 | ||
| TCMBANKIN040998 | cartormin | C27H29NO13 | 575.5 g/mol | C1C(C(C(O1)C2=CC3=C(N2)C(C(=O)C(=C3O)C(=O)C=CC4=CC=C(C=C4)O)(C5C(C(C(C(O5)CO)O)O)O)O)O)O | |
| TCMBANKIN041080 | β-amyrin acetate | Acetic acid oleana-12-ene-3alpha-yl ester; b—Amyrin-acetate; beta-amyrin acetate; 3β-O-acetoxyolean-12-en- 28-oic acid; β- amyrin acetate; beta-amyrin acetate ; beta-Amyrin acetate | C32H52O2 | 468.75 | CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C |
| TCMBANKIN041167 | 6-hydroxyorthosiphol b | C38H44O12 | CC(=O)OC1C(C2C(C(C(C(C2(C3C1(C(=O)C(CC3OC(=O)C4=CC=CC=C4)(C)C=C)O)C)OC(=O)C5=CC=CC=C5)O)OC(=O)C)(C)C)O | ||
| TCMBANKIN041272 | stearic acid | 4-02-00-01206 (Beilstein Handbook Reference); AIDS-049230; Emersol 871; 8039-52-9; 126539-56-8; stearic acid, ion(1-); D00119; octadecoic acid; Hydrofol Acid 150 (VAN); 134503-33-6; Fatty acids C16-18; 68937-76-8; Kam 2000; VLZ 200; Lunac S 98; Glycon S-80; Hy-phi 1205; Lunac YA; Pristerene 9429; Pristerene 4900; Octadecanoic acid (9CI); Hystrene 9718NF; Edenor FHTI; Cetylacetic acid; NAA 173; NSC 25956; Lunac S 90; S 30C S 30C (fatty acid); Neo-Fat 18-61; Dar-chem 14; NSC25956; Edenor HT-JG 60; Octadecanoate; 57485-56-0; Oktadekansaeure; S 300 (fatty acid); Unister NAA 180; Industrene 5016; Prisorine 3508; Hydrofol Acid 150; Hystrene 4516; G 270; Stearic Acid Cherry; Century 1230; 822-16-2 (SODIUM SALT); NCGC00091596-02; Glycon S-90; 85404-83-7; NCGC00091596-01; Stearic acid (JP15/NF); Hystrene 5016; Hy-phi 1303; Glycon S-70; C01530; Octadecansaeure; Neo-Fat 18-55; WO 2 (fatty acid); Pristerene 9559; SA 200; Century 1240; Stearic acid, pure; Sunfat 18S; WO 2; CHEBI:28842; Industrene 5016K; LS-2392; Kam 3000; BRN 0608585; Edenor ST 20; AIDS049230; Lunac 30; EINECS 273-087-8; Emersol 150; 175366_SIAL; 8039-54-1; Fatty acids, C16-20; stearicacid; Stearic acid ion(1-)salt; Stearic acid (8CI); Stearinsaeure; Emersol 153NF; Hydrofol acid 1855; 57-11-4; Lunac S 30; Hystrene T 70; Prisorine 3501; Haimaric MKH(R); Stearex Beads; Groco 55; Hystrene S-97; Neo-Fat 18-54; W303518_ALDRICH; Hydrofol acid 1655; Nonsoul SN 1 (*Sodium salt*); EINECS 200-313-4; 39390-61-9; Emersol 120; EPA Pesticide Chemical Code 079082; Lunac S 20; Octadecanoic acid, ion(1-); 8013-28-3; AI3-00909; Kortacid 1895; FEMA No. 3035; Hystrene S 97; 82497-27-6; Tegostearic 254; SNA-2000 (*Sodium salt*); 1-Heptadecanecarboxylic acid; AC1MHWEJ; STL280244; 27405_RIEDEL; Steric acid; Industrene 9018; Glycon dp; F 3 (lubricant); Hy-phi 1401; Lunac S 50; Emersol 132; Stearic acid, ion(1-) (8CI); CH3-[CH2]16-COO(-); acide octadecanoique; Groco 55l; 73297_FLUKA; Serfax MT 90; Stearic acid [USAN:JAN]; 8039-51-8; acide stearique; Kam 1000; Acidum stearinicul; InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20; 8039-53-0; 17FA; Stearophanic acid; 8037-83-0; Hystrene 7018; FA 1655; Prisorine 3502; Nonsoul SK 1; Hydrofol Acid 1895; Lunac S 40; Stearic acid 50; 8023-06-1; 85679_FLUKA; HSDB 2000; n-Octadecanoate; 400JB9103-88; Glycon tp; Unimac 5680; Loxiol G 20; Stearate; 875D; Octadecanoic acid; Neo-Fat 18-53; octadecanoate (n-C18:0); Radiacid 0427; Emery 871; Vanicol; Vis-Plus; PD 185; EINECS 250-178-0; AKOS022105769; 646-29-7; Edenor ST 1; S 300; Caswell No. 801D; Selosol 920; Tegostearic 272; Isostearic acid EX; A 1760; WLN: QV17; Stearic acid (TN); Pearl stearic; 609343-71-7; Palmitic acid - stearic acid mixture; Emersol 875; Industrene 8718; Hystrene 9718NFFG; NCGC00164255-02; ST023799; LMFA01010018; Groco 54; Edenor C18; Hystrene T-70; Hy-phi 1199; CTK8J8420; n-Octadecanoic acid; Groco 58; Pristerene 4963; Formula 300; AFCO-Chem B 65; CCRIS 2305; Industrene R; Century 1220; S4751_SIGMA; Neo-Fat 18; 58392-66-8; Barolub FTA; Hystrene 9718; CH3-[CH2]16-COOH; STE; 8037-40-9; 30399-84-9; Lunac S 90KC; Hydrofol 1895; Emery 875D; Century 1210; QIQXTHQIDYTFRH-UHFFFAOYSA-M; Neo-Fat 18-59; LS-1388; Groco 59; Humko Industrene R; Hystrene 80; Adeka Fatty Acid SA 910; Stearic acid; Prifac 2918; Emersol 6349; Edenor C 18/98; 3uex; LS-97707; CHEBI:25629; Neo-Fat 18-S; Stearic acid - palmitic acid mixture; Tegostearic 255; C-Lube 10 | C18H36O2 | 284 | C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(O[H])= O |
| TCMBANKIN041719 | safflower yellow a | C1=CC(=CC=C1C=CC(=O)C2=C(C3=C(C(C2=O)(C4C(C(C(C(O4)CO)O)O)O)O)OC5C3OC(C(C5O)O)CO)O)O | |||
| TCMBANKIN042430 | 6-Hydroxykaempferol-7-O-(6-O-caffeoyl-β-D-glucopyranoside) | ||||
| TCMBANKIN042583 | 3',4'-Dihydroxywogonin | Hypolaetin 8,3',4'-trimethyl ether; 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-8-methoxychromen-4-one; LMPK12111401; AC1NSUS7; 5,7-dihydroxy-3',4',8-trimethoxyflavone; 5,7-Dihydroxy-8,3',4'-trimethoxyflavone; 3',4'-Dimethoxywogonin | C18H16O7 | 344.315 | c1(O[H])c([H])c(O[H])c(C(=O)C([H])=C(c2c([H])c(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c2[H])O3)c3c1OC([H])([H])[H] |
| TCMBANKIN042858 | Luteolin | Prestwick3_000870; TNP00073; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate luteolin-7-olate(1-); 62696_FLUKA; ACon1_000223; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-chromenone; Digitoflavone; SMR000326896; luteolin-7-olate anion; 4H-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; CHEBI:57545; FLAVONE, 3',4',5,7-TETRAHYDROXY-; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone; A827664; BPBio1_001011; MEGxp0_000143; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- (9CI); Weld Lake; BSPBio_000919; CHEBI:15864; 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-olate; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one; Oprea1_849964; Yama kariyasu; 4-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-oxidanyl-phenolate; ST024703; luteolin ; NCGC00016467-02; EINECS 207-741-0; AIDS001406; NCGC00142375-02; C.I. Natural Yellow 2; S00110; Luteoline; Luteolin; Luteolol; 3′,4′,5,7-Tetrahydroxyflavone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-; Prestwick_122; 5,7,3',4'-Tetrahydroxyflavone; BRN 0292084; CAS-491-70-3; 4-(5,7-dihydroxy-4-oxo-1-benzopyran-2-yl)-2-hydroxyphenolate; ZINC00008613; NCGC00142375-01; Prestwick1_000870; AIDS-001406; C01514; CCRIS 3790; 3',4',5,7-Tetrahydroxyflavone; Flacitran; Cyanidenon 1470; MLS000697655; SPBio_002840; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Lopac0_000660; NCGC00016467-01; C.I. 75590; Prestwick0_000870; 491-70-3; 2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-oxylato-4H-1-benzopyran-4-one; 5-18-05-00296 (Beilstein Handbook Reference); Prestwick2_000870; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one; L9283_SIGMA; 3′,4′,5,7-Tetrahydroxyflavone; SMP2_000042; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromone | C15H10O6 | 286.236 | c1(O[H])c([H])c(OC(c2c([H])c([H])c(O[H])c(O[H])c2[H])=C([H])C3=O)c3c(O[H])c1[H] |
| TCMBANKIN044085 | Fluoranthene | HSDB 5486; WLN: L C6566 1A PJ; RCRA waste number U120; 76774-50-0; BCR160R_FLUKA; NSC 6803; Fluoranthene solution; Benzo(jk)fluorene; 1,2-(1,8-Naphthylene)benzene; RCRA waste no. U120; CCRIS 1034; NSC6803; Idryl; 1,2-(1,8-Naphthalenediyl)benzene; Benzo[j,k]fluorene; 45504_RIEDEL; NCGC00090998-01; 40037_SUPELCO; CHEBI:33083; EINECS 205-912-4; 1,2-Benzacenaphthene; FLUORANTHENE; NCGC00090998-02; 423947_ALDRICH; Benzo[jk]fluorene; SR-01000640231-1; 48535_SUPELCO; Benzene, 1,2-(1,8-naphthylene)-; Benzacenaphthylene; InChI=1/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10; SB 00542; Benzene, 1,2-(1,8-naphthalenediyl)-; F807_ALDRICH; 48662_SUPELCO; 206-44-0 | C16H10 | 202.251 | c12c(c(c(c([H])c([H])c([H])c3[H])c13)c([H])c([H])c4[H])c4c([H])c([H])c2[H] |
| TCMBANKIN044727 | salicylic acid | 3320-EP2298732A1; D00097; CCRIS 6714; 3320-EP2287148A2; 3320-EP2298735A1; o-Hydroxybenzoate anion; Trans-Ver-Sal; Verrugon; CHEBI:30762; STK258681; 2y7w; salicylate; BBL000698; 3320-EP2305260A1; 3320-EP2311796A1; K 537; Keralyt; AC1L1JPL; Salicylate anion; 3320-EP2301534A1; Orthohydroxybenzoic acid; 3320-EP2292595A1; o-hydroxybenzoic acid; Salicylate ion; 3320-EP2298777A2; ACS No 10; Ionil; 3320-EP2289871A1; Salicylic acid [USAN:JAN]; 3320-EP2298748A2; SMR000059163; AC1Q5BFS; o-Carboxyphenol; NCGC00178624-02; 3320-EP2269991A2; 25496-36-0; 3320-EP2292614A1; 3320-EP2311451A1; Salicylic acid; YGSDEFSMJLZEOE-UHFFFAOYSA-M; 3320-EP2284179A2; Benzoic acid, 2-hydroxy-; 3320-EP2287150A2; MLS000069653; 3320-EP2301912A2; CHEBI:16914; Ionil-Plus; Salicylic acid & Sulfur Soap; 3320-EP2305637A2; 3320-EP2298743A1; 3320-EP2284151A2; 54-21-7 (SODIUM SALT); AB00053542_03; Salicylic acid collodion; Kyselina 2-hydroxybenzoova [Czech]; Salicylic acid (6CI,8CI); AIDS-006789; 3320-EP2295416A2; KBio2_003996; 2-hydroxy-benzoate; Dr. Scholl's Corn Removers; 3320-EP2284152A2; Advanced Pain Relief Corn Removers; 3320-EP2284156A2; NCGC00159447-02; 3320-EP2316835A1; 3320-EP2295413A1; 3320-EP2308863A1; 3320-EP2292593A2; 3320-EP2305671A1; AIDS006789; Duofil Wart Remover; 2-Hydroxybenzoic acid; 3gf2; InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10; 3320-EP2269985A2; C00805; 3twp; 3320-EP2311798A1; 3320-EP2275420A1; hydroxybenzoate; WLN: QVR BQ; Salonil; S7401_SIGMA; NSC 180; Salicylic acid (JP15/USP); 3320-EP2301927A1; 3198-EP2289876A1; 3320-EP2316470A2; NCGC00178624-03; Saligel; 2-HYDROXYPHENYLFORMATE; salicylicacid; CPD-110; 3320-EP2284150A2; Spectrum_000948; EPA Pesticide Chemical Code 076602; 3320-EP2284164A2; 3320-EP2295550A2; SMP2_000145; Acidum salicylicum; CAS_54-21-7; Dr. Scholl's Callus Removers; Stri-Dex; ZB000360; SAL; o-Hydroxybenzoate; 3320-EP2280008A2; Clear away Wart Remover; 3320-EP2295432A1; S8519_SIGMA; CTK5I4917; CJ-00055; Salicylic acid, tech.; Salicylic acid soap; 3320-EP2269978A2; 2-Hydroxybenzoate (Na+); Benzoic acid, 2-hydroxy-, ion(1-); SGCUT00012; Duoplant; Freezone; 3320-EP2284155A2; Occlusal; 3320-EP2284178A2; 3320-EP2301914A1; 3320-EP2311825A1; MFCD00984876; Psoriacid-S-Stift; 3320-EP2301913A1; Rutranex; IDI1_000301; 3320-EP2314578A1; 2-Hydroxybenzenecarboxylic acid; 3320-EP2298765A1; 3320-EP2308832A1; MolPort-003-710-545; 8052-31-1; o-Hydrobenzoate; Retarder W; Salicylic acid-ring-UL-14C; 2y7k; Duofilm; o-Hydrobenzoic Acid; NSC_5900; EINECS 200-712-3; NCGC00159447-04; BDBM85513; 3320-EP2295419A2; 3320-EP2314295A1; STK372903; 63-36-5; 3320-EP2311835A1; DivK1c_000301; 2-Hydroxybenzoic acid ion(1-); 3320-EP2316450A1; 3320-EP2277875A2; Dr. Scholl's Wart Remover Kit; 105910_ALDRICH; HSDB 672; 69-72-7; 3320-EP2311842A2; 2y7p; 3320-EP2284153A2; AI3-02407; 3320-EP2272847A1; 7681-06-3; Phenol-2-carboxylic acid; AKOS005447222; 3198-EP2298777A2; Ionil Plus; KBioSS_001428; 3320-EP2301916A2; T7104; 3320-EP2284170A1; 3320-EP2298764A1; Caswell No. 731; 2-Oxylatobenzoate; 84210_FLUKA; KBio1_000301; 3320-EP2311799A1; BENZOIC ACID,2-HYDROXY SALICYLIC ACID; to_000004; Compound w; 3320-EP2275102A1; 3320-EP2311797A1; 2-Hydroxybenzoate; Kyselina salicylova [Czech]; S5922_SIGMA; 3320-EP2287140A2; 2-Hydroxybenzoic acid anion; 3320-EP2305688A1; 3320-EP2305243A1; UPCMLD-DP126:001; 3320-EP2295412A1; 27301_SIAL; Salicylic acid, ion(1-); 3320-EP2292590A2; 3320-EP2277876A1; W398500_ALDRICH; Oprea1_040343; KBio2_006564; Salicylic acid (TN); Sebucare; 2-Carboxyphenol; Benzoic acid, 2-hydroxy- (9CI); Acido salicilico [Italian]; KBio2_001428; Acido o-idrossibenzoico [Italian]; Advanced Pain Relief Callus Removers; LS-144344; NINDS_000301; 2-hydroxybenzoic acid; 247588_SIAL; 2-CARBOXYBENZENOLATE; 3198-EP2314295A1; NSC180; Domerine; Sebulex; BRN 0774890; CMC_13852 | C7H6O3 | 138.12 | C1=CC=C(C(=C1)C(=O)O)[O-] |
| TCMBANKIN045916 | phytofluene | C40H62 | 543 | C(/C([H])([H])[H])(\C([H])([H])[H])=C([H])/C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])\C(\C([H])([H])[H])=C([H])\C([H])=C([H])/C([H] )=C(/C([H])([H])C([H])([H])\C([H])=C(\C([H])([H])C([H])([H])\C([H])=C(\C([H])([H])C([H])([H])\C(\C([H])([H])[H])=C([H])/C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])\C([H])([H])[H] | |
| TCMBANKIN047167 | propanetriol-α-l-arabinofuranosyl (1→4)-β-d-glucopyranoside | propanetriol-α-l-arabinofuranosyl(1→4)-β-d-glucopyranoside | |||
| TCMBANKIN047275 | carthamin | 36338-96-2; AC-20202; AKOS015965395; Carthamin | C43H42O22 | 910.78 | C1=CC(=CC=C1C=CC(=O)C2=C(C(C(=C(C2=O)C=C3C(=O)C(=C(C(C3=O)(C4C(C(C(C(O4)CO)O)O)O)O)O)C(=O)C=CC5=CC=C(C=C5)O)O)(C6C(C(C(C(O6)CO)O)O)O)O)O)O |
| TCMBANKIN048910 | Precarthamin | 464.51 | |||
| TCMBANKIN049148 | beta-ionone | (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; (Z)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; BB_NC-0321; 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one; NSC 402758; beta-Cyclocitrylideneacetone; SCHEMBL813343; AIDS-032326; AIDS032326; EINECS 238-969-9; 4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one; .beta.-Cyclocitrylideneacetone; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; W259500_ALDRICH; 4-(2,6,6-Trimethyl-1-cyclohexen-l-yl)-3-buten-2-one; NSC46137; WLN: L6UTJ A1U1V1 B1 F1 F1; e-4-(2,6,6-trimethyl-cyclohexyl)-but-3-en-2-one; LS-871; EINECS 252-325-4; YJRODKCOICMRBO-BQYQJAHWSA-N; LS-47337; 35031-06-2; ST5306954; trans-.beta.-Ionone; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E); IONONE, BETA; EINECS 252-912-5; β- Ionone; 58180_FLUKA; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 1; C12287; NSC402758; (3E)-4-(2,2,6-TRIMETHYLCYCLOHEXYL)BUT-3-EN-2-ONE; 14901-07-6; 4-(2,6,6-Trimethyl-2(1)-cyclohexen-1-yl)-3-buten-2-one; .beta.-Ionone isomer # 2; SCHEMBL813341; Dihydroionone; ZINC03881456; AC1O5BV0; Ionone, .beta.-; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-; CCRIS 6249; (E)-4-(2,2,6-trimethylcyclohexyl)but-3-en-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; I12603_ALDRICH; InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7; β-ionone; W259519_ALDRICH; .beta.-Ionone; beta-Ionone; 79-77-6; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-; .beta.-Ionene; 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one; 36208-32-9 | C13H20O | 192.297 | C1([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C(\C([H])=C([H])\C(=O)C([H])([H])[H])=C(C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN049584 | 1-Ribityl-2,3-diketo-1,2,3,4-tetrahydro-6,7-dimethyl-quinoxaline | ||||
| TCMBANKIN049963 | Hydroxysafflor yellow A | 146087-19-6; Hydroxysafflor Yellow A; MolPort-044-724-589; AK109371; AKOS016009009; CHEMBL1172243; 78281-02-4 | 612.5 g/mol | ||
| TCMBANKIN057963 | succinic acid | NCGC00159372-02; AIDS017693; Bernsteinsaure; succ; nchembio856-comp9; SIN; Butanedioic acid diammonium salt; InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8; Bernsteinsaeure; ST5213944; nchembio.2007.47-comp2; 4-02-00-01908 (Beilstein Handbook Reference); 623158-99-6; LMFA01170043; BRN 1754069; butanedioic acid; Succinic acid (8CI); acide butanedioique; Dihydrofumaric acid; Katasuccin; 110-15-6; WLN: QV2VQ; FMR; AI3-06297; EINECS 203-740-4; Kyselina jantarova [Czech]; Amber acid; 398055_SIAL; 1,4-Butanedioic acid; S3674_SIAL; succinicacid; Ethylene dicarboxylic acid; 1,4-BUTANEDIOIC ACID (SUCCINIC ACID); S7501_SIAL; NSC25949; Bernsteinsaure [German]; acide succinique; NSC 106449; HOOC-CH2-CH2-COOH; Butandisaeure; 1,2-Ethanedicarboxylic acid; Acidum succinicum; Asuccin; C00042; Wormwood acid; ethylenesuccinic acid; Wormwood; 14078_FLUKA; Butanedionic acid; NSC106449; W502707_ALDRICH; W502715_ALDRICH; NCGC00159372-03; AIDS-017693; spirit of amber; A 12084; CHEBI:15741; Butanedioic acid (9CI); S9512_SIGMA; 14079_FLUKA; HSDB 791; Amber acid; amber acid | C4H6O4 | 118.09 g/mol | C(CC(=O)O)C(=O)O |
| TCMBANKIN058076 | myricetin | 3,3′,4′,5,5′,7-Hexahydroxyflavone; Lopac0_000740; EU-0100740; Myricetin; SPBio_002509; NCGC00015697-01; CAS-529-44-2; C10107; TNP00286; CHEBI:58395; S00115; NSC407290; ST057235; KBio2_001981; MYC; EINECS 208-463-2; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone; NCI60_003870; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; Myricitin; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; Cannabiscetin; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromone; ZINC03860925; myricetin ; BSPBio_000570; NSC-407290; CHEBI:18152; Prestwick_342; Spectrum5_000692; M6760_SIGMA; 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate; NCGC00094083-04; 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one; ACon1_000267; Prestwick2_000465; NCGC00015697-02; 3,3',4',5,5',7-Hexahydroxyflavone; CCRIS 5838; FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-; 70050_FLUKA; KBio2_007117; AIDS-001411; 529-44-2; 5-18-05-00670 (Beilstein Handbook Reference); KBioGR_001884; 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; Prestwick3_000465; KBio2_004549; Prestwick1_000465; Myricetol; NSC 407290; KBioSS_001981; AIDS001411; NCGC00015697-03; BRN 0332331; Lopac-M-6760; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); myricetin(1-); NCGC00094083-02; SpecPlus_000531; BPBio1_000628; 3,5,7,3',4',5'-Hexahydroxyflavone; 3,3'4'5,5'7-hexOH-Flavone; DivK1c_006627; MEGxp0_000357; Spectrum_001501; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Prestwick0_000465; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; KBio1_001571; Spectrum4_001272; HY-15097; NCGC00015697-06; SPBio_002509; NCGC00015697-01; ST057235; KBio2_001981; 3,7,3',4',5'-Hexahydroxyflavone; Q-100601; LP00740; IKMDFBPHZNJCSN-UHFFFAOYSA-N; AN-939; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; M-1214; NCGC00094083-01; HMS1569M12; NCGC00015697-13; CM0160; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one; NSC-407290; BS0289; 4CN-1085; MCULE-6299186219; SR-01000076005-1; HSDB 7682; KS-00000GOF; 529-44-2; KBioGR_001884; LS-69005; BRN 0332331; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI); AKOS015903103; BPBio1_000628; 3,5,7,3',4',5'-Hexahydroxyflavone; C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1; NCGC00015697-05; DivK1c_006627; DB02375; NCGC00015697-10; Flavone,3',4',5,5',7-hexahydroxy-; Spectrum4_001272; MolPort-001-740-532; MLS006010718; TNP00286; CCG-204825; Myricetin (Cannabiscetin); Myricetin, >=96.0%, crystalline; KS-5268; SR-01000076005; NCI60_003870; AB0149714; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; BIDD:PXR0079; SMR001233193; HMS3262C22; I14-19097; BSPBio_000570; Spectrum5_000692; 3,3 ,4 ,5,5 ,7-Hexahydroxyflavone; NCGC00094083-04; 3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one; FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-; NCGC00094083-03; 529M442; NCGC00015697-09; 3,3',4',5,5',7-hexahydroxy-(8CI)- flavone; KBioSS_001981; cid_5281672; NCGC00015697-03; BBL023468; NCGC00094083-02; NCGC00179517-02; SpecPlus_000531; BC201817; HMS2231L04; BG01607805; A829320; NCGC00179517-01; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; KBio1_001571; FT-0672573; STL284709; REGID_for_CID_5281672; S00115; myricetin; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one #; EINECS 208-463-2; MFCD00006827; AK111247; CHEBI:18152; GL5441; NCGC00261425-01; BIDD:ER0142; s2326; ACon1_000267; Prestwick2_000465; CCRIS 5838; KBio2_007117; 4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; MLS002153825; Prestwick1_000465; Prestwick3_000465; Bio-0838; KBio2_004549; NCGC00015697-07; Myricetol; Lopac-M-6760; BDBM15236; HMS2096M12; Myricetin, >=96.0% (HPLC); MEGxp0_000357; Spectrum_001501; 76XC01FTOJ; TR-018746; Prestwick0_000465; ST24041172; M 6760; AJ-46397; Lopac0_000740; EU-0100740; CAS-529-44-2; C10107; NSC407290; Myricetin from Myrica cerifera leaf and bark; 4gqr; 2o63; AC-4533; MYC; NCGC00015697-08; N1850; Myricitin; Cannabiscetin; D0T3PW; HMS3656I05; Tox21_500740; NCGC00015697-04; NCGC00015697-12; DTXSID8022400; Prestwick_342; 3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one; CS-6221; M2131; ZINC3874317; BRD-K43149758-001-04-5; CHEBI: 18152; 3,3',4',5,5',7-hexOH-Flavone; NCGC00015697-02; 3,3',4',5,5',7-Hexahydroxyflavone; Myricetin, analytical standard; UNII-76XC01FTOJ; NSC 407290; LMPK12110001; AX8140581; AC1NQYV4; SCHEMBL19302; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one; SR-01000076005-6; CHEMBL164; NCGC00015697-11; 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; Myricetin, primary pharmaceutical reference standard; 3,3',4',5,5',7-hexahydroxyflavone | C15H10O8 | 318.23 g/mol | C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058094 | 5-HMF | 5-(Hydroxymethyl)-2-furancarboxaldehyde; 5-18-01-00130 (Beilstein Handbook Reference); 2-Furancarboxaldehyde, 5-(hydroxymethyl)-; 2-Hydroxymethyl-5-furfural; BRN 0110889; 5-(Hydroxymethyl)-2-furancarbonal; CCRIS 3160; CBiol_000485; 67-47-0; NSC40738; SBB004259; 2-Furaldehyde, 5-(hydroxymethyl)-; 5-(Hydroxymethyl)-2-furaldehyde; 5-(hydroxymethyl)furan-2-carbaldehyde; Hydroxymethylfurfurole; 5-Hydroxymethylfurfural; 5-Hydroxymethylfuraldehyde; C11101; 5-(Hydroxymethyl)furfural; 5-Oxymethylfurfurole; InChI=1/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H; EINECS 200-654-9; W501808_ALDRICH; Hydroxymethylfurfuralaldehyde; 5-(Hydroxymethyl)-2-furfuraldehyde; ICCB3_000133; H40807_ALDRICH; Hydroxymethylfurfural; 5-Hydroxymethyl-2-furancarboxaldehyde; NCGC00091513-01; 55690_FLUKA; 5-Hydroxymethyl furaldehyde; 5-(Hyddroxymethyl)furfurole; 5-Hydroxymethyl-2-furaldehyde; 5-(Hydroxymethyl)-2-furfural; NSC 40738; 76330-16-0; Hydroxymethylfurfuraldehyde; 5-Hydroxymethyl-2-formylfuran; ZINC00900788; 5-Hydroxymethylfuran-2-aldehyde; 5-methylolfurfural; 5-hydroxymethylfuraldehyde; 5-hydroxymethyl furfural; 5-hydroxy methyl furfural; 5-hydroxymethylfurfural; 2-Furancarboxaldehyde,5-(hydroxymethyl); 5-hydroxymethyl furaldehyde; 5-hydroxymethyl-2-furfural; 5-(hydroxymethyl)-2-furfural; 5- hydroxymethylfurfural; 2-Furancarboxaldehyde , 5-(hydroxymethyl) | C6H6O3 | 126.11 g/mol | C1=C(OC(=C1)C=O)CO |
| TCMBANKIN058114 | trans-caffeic acid | 3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid | C9H8O4 | 180.16 g/mol | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| TCMBANKIN058139 | Quercetin-3,7-di-O-beta-d-glucoside | quercetin-3,7-di-O-β-D-glucoside; quercetin-3-o-β-d-galactoside-7-o-β-glucoside; quercetin-3,7-diglucoside | C27H30O17 | 626.5 g/mol | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O |
| TCMBANKIN058191 | safflomin c | safflomin-C | C30H30O14 | 614.5 g/mol | C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C(CC(=O)O)C4=CC=C(C=C4)O)O)O)O |
| TCMBANKIN058210 | WLN: VHR DVH | p-Formylbenzaldehyde; p-Phthalaldehyde; Terephthaladehyde (8CI); Terephthalaldehyde; Terephtaldehydes [French]; p-Benzenedicarboxaldehyde; NSC13395; 1,4-Benzenedicarboxaldehyde; T2207_SIAL; Terephtaldehydes [French]; ZINC01729595; Terephtaldehyde; Benzene-1,4-dicarboxaldehyde; NSC 13395; Terephthaldicarboxaldehyde; InChI=1/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6; 1,4-Diformylbenzene; Terephthaladehyde; EINECS 210-784-8; Terephthaldehyde; 4-Formylbenzaldehyde; 86410_FLUKA; SBB012343; Terephthaldialdehyde; 1,4-DICARBOXALDEHYDE-BENZENE; 623-27-8; Terephthalic aldehyde; Terephtaldehydes; 5'-caffeoylquinic-acid; neochlorogenic acid; 5'-caffeoylquinic acid; terephthaldehyde | C8H6O2 | 134.13 | C1=CC(=CC=C1C=O)C=O |
| TCMBANKIN058213 | kaemferol;kampferol;kaempferol;campherol | TNP00039; nchembio.2007.28-comp30; Kaempherol; 5-18-05-00251 (Beilstein Handbook Reference); Prestwick2_001098; CHEBI:28499; Prestwick1_001098; CAS-520-18-3; BRN 0304401; Flavone, 3,4',5,7-tetrahydroxy-; ST030560; MEGxp0_001283; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; C.I. 75640; Swartziol; K0133_SIGMA; kaempferol oxoanion; NCGC00016480-01; 60010_FLUKA; EINECS 208-287-6; Pelargidenon; Nimbecetin; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NSC 407289; 3,4',5,7-Tetrahydroxyflavone; HSCI1_000027; Pelargidenolon 1497; NSC407289; Robigenin; C05903; CPD1F-90; Kampferol; NSC 656277; Prestwick0_001098; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Populnetin; Kampcetin; Prestwick3_001098; AIDS-001404; ZINC00137345; kaempferol ; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-olate; 3,4′,5,7-Tetrahydroxyflavone; Rhamnolutein; NCGC00016480-02; ACon1_001867; NSC656277; 3,4′,5,7-Tetrahydroxyflavone; BSPBio_001176; SPBio_003058; Oprea1_650954; 5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- (9CI); Campherol; 520-18-3; 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE; S00111; Trifolitin; Kampherol; AI3-36096; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromone; Indigo yellow; Pelargidenolon; AIDS001404; nchembio718-comp14; NCGC00091036-01; Flavone, 3,4',5,7-tetrahydroxy- (7CI,8CI); CHEBI:58573; Kaemferol; Kempferol; BPBio1_001294; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; Rhamnolutin; 3,5,7-triOH-Flavone; KMP; CCRIS 41; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)- | C15H10O6 | 286.24 g/mol | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| TCMBANKIN058215 | kaempferol-3-o-beta-d-glucoside | kaempferol-3-O-β-D-glucopyranoside;Kaempferol-3-glucoside;astragalin;Kaempferol-3-o- glucoside;kaempferol 3-glucoside;Kaempferol 3-O-glucoside;kaempferol-3-o-glucoside;5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside; Kaempferol-3-O-.beta.-D-glucopyranoside; Kaempferol-3-beta-glucopyranoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one; NCGC00163580-01; 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; Astragaline; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one; Kaempferol-3-D-glucoside; 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; MEGxp0_000168; Kaempferol-3-beta-monoglucoside; Kaempferol-3-O-glucoside; 3,4',5,7-Tetrahydroxyflavone-3-glucoside; 480-10-4; ACon1_001224; SCHEMBL23898; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone; AIDS-051935; AIDS051935; CHEBI:30200; LMPK12111725; Kaempferol 3-O-beta-D-glucopyranoside; C12249; Astragalin; Kaempferol 3-O-glucoside; Kaempferol 3-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; Kaempferol 3-O-beta-D-glucoside; 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone;kaempferol-3-β-D-glucopyranoside;Kaempferol-3-O-β-D- glucopyranoside; kaempferol-3-o-beta-d-glucopyranoside;kaempferol-3-O-β-D-glucoside; Kaempferol-3-o-β-D- glucoside; Kaempferol- 3-O-β-D-glucoside | C21H20O11 | 448.38 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O |
| TCMBANKIN058216 | Sophoraflavonoloside | 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; Kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside; sophoraflavonoloside; Kaempferol-3-O-sophoroside; 3-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol-3-sophoroside; Kaempferol 3-O-beta-D-sophoroside; C12634; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; Kaempferol 3-O-sophoroside; K3S; Flavone, 3,4',5,7-tetrahydroxy-, 3-(2-O-beta-D-glucopyranosyl-beta-glucopyranoside); 30373-88-7; 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; 19895-95-5; 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-diglucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-;kaempferol-3-sophoroside | C27H30O16 | 610.52 | C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O |
| TCMBANKIN058221 | apigenin | 520-36-5; Spectrum2_000428; 10798_FLUKA; Biochem Biophys Res Comm 212: 767 (1997); CCRIS 3789; AIDS001401; apigenin-7-olate; KBioGR_002565; KBio3_002887; BSPBio_000368; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; HSCI1_000221; Flavone, 4',5,7-trihydroxy-; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-; EINECS 208-292-3; A3145_SIGMA; 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-5-olate; CHEBI:18388; IDI1_000798; NCGC00025057-04; AIDS-001401; NSC 83244; BPBio1_000406; Apigenol; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromenone; NINDS_000798; NCGC00015049-02; 4′,5,7-Trihydroxyflavone; SPBio_002307; Prestwick_719; 2-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-5-olate; Spectrum4_001999; Chamomile; KBio1_000798; BRN 0262620; Prestwick2_000414; Prestwick3_000414; SDCCGMLS-0066379.P001; CHEBI:58470; 5,7, 4'-trihydroxyflavone; NCGC00025057-02; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; APIGENIN; Lopac0_000065; K00045; 4′,5,7-Trihydroxyflavone; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; NCGC00025057-09; 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; ACon1_002450; Oprea1_622293; EU-0100065; nchembio790-comp26; 4',5,7-Trihydroxyflavone; NCGC00025057-08; ND-9076; NCGC00025057-01; MEGxp0_000176; Apigenin; 4',5,7-Trihydroxyflavone; apigenin ; Prestwick1_000414; NCGC00015049-01; ZINC00004495; NCGC00025057-05; Spectrum3_001882; BiomolKI_000078; NCI60_041830; Bio1_001354; ghl.PD_Mitscher_leg0.1194; SPECTRUM200846; A828903; DivK1c_000798; 5-18-04-00574 (Beilstein Handbook Reference); 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate; C.I. Natural Yellow 1; 461015-54-3; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)- (9CI); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromone; SMP2_000338; BiomolKI2_000082; Prestwick0_000414; Tocris-1227; Lopac-A-3145; Bio1_000865; NSC83244; Versulin; Pelargidenon 1449; Bio1_000376; Spigenin; 5,7,4'-Trihydroxyflavone; ST056301; UCCF 031; SPBio_000416; Apigenine; C01477; CAS-520-36-5; BSPBio_003384 | C15H10O5 | 270.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| TCMBANKIN058226 | scutellarein | ZINC00899075; AC-11200; ST50331621; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Isocarthamidin; AN-45602; MFCD00017692; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromone; 6-Hydroxyapigenin; N2093; P460GTI853; 5,6,7,4'-Tetrahydroxyflavone; 4',5,6,7-Tetrahydroxyflavanone; AK198746; 6-Hydroxyapigenin;4,5,6,7-Tetrahydroxyflavone; C10184; 529-53-3; AC1NQYX1; Scutellarein, >=98% (HPLC); AKOS015960467; UNII-P460GTI853; Scutellarein; AIDS000486; D00LMG; DTXSID40200946;4',5,6,7-tetrahydroxyflavanone; HY-N0752; SCHEMBL142093; LMPK12111160; SC-65770; BG01578503; BDBM23411; A829325; scutellarein ; SCUTELLARTLN; Y0183; Q-100602; FT-0674545; AS-19541; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromenone; AIDS-000486; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CHEBI:9062; ZINC5842416; MolPort-003-724-680; AB0035788; 4H-1-Benzopyran-4-one, 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; Flavonoid; API0004145; JVXZRQGOGOXCEC-UHFFFAOYSA-N; KS-00000HCF; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-4-one; 2-(4-hydroxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one; LS-39816; 529S533; ST5331621; 4',5,6,7-tetrahydroxyflavone; CHEMBL55415; 4H-1-Benzopyran-4-one,5,6,7-trihydroxy-2-(4-hydroxyphenyl)-; 5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; CS-5596 | C15H10O6 | 286.24 | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O)O |
| TCMBANKIN058271 | coumalic acid | Cumalic acid; 6-ketopyran-3-carboxylic acid; 500-05-0; EINECS 207-899-0; 2-Oxo-1,2H-pyran-5-carboxylic acid; SBB004170; AIDS002612; 2H-Pyran-5-carboxylic acid, 2-oxo-; 2-Pentenedioic acid, 4-(hydroxymethylene)-, delta-lactone; alpha-Pyrone-5-carboxylic acid; 28130_FLUKA; InChI=1/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9; 6-oxopyran-3-carboxylic acid; NSC 22978; 2-Oxopyran-5-carboxylic acid; 2-Pentenedioic acid, 4-(hydroxymethylene)-, .delta.-lactone; Coumalic acid; 6-oxo-3-pyrancarboxylic acid; C85409_ALDRICH; 2-Pyrone-5-carboxylic acid; NSC22978; .alpha.-Pyrone-5-carboxylic acid; AIDS-002612; 2-oxo-2H-pyran-5-carboxylic acid | C6H4O4 | 140.09 g/mol | C1=CC(=O)OC=C1C(=O)O |
| TCMBANKIN058273 | aesculin;esculin | Esculin hydrate, >=98%; SR-01000633930; CHEBI:73111; DTXSID60583344; Esculin hydrate; SMR001562115; A-D-glucopyranoside; Esculetin-6-; CHEMBL1718108; (-)-ESCULIN HYDRATE; AKOS025310104; Esculin sesquihydrate; SCHEMBL829959; Esculin monohydrate; 7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside--water (1/1); FT-0625710; C15H16O9.xH2O; Esculin sesquihydrate, p.a., 98%; C15H18O10; SR-01000633930-4; SC-21492; 340.2821 (anhydrous basis); MLS002695944; Esculin hydrate, analytical standard; Esculin hydrate, >=98.0% (HPLC); BG01647212; A-7671; AS-11688; 7-Hydroxy-2-oxo-2H-1-benzopyran-6-yl beta-D-glucopyranoside--water (1/1); MFCD00149492; MolPort-003-665-735; 66778-17-4; Esculin sesquihydrate, tested according to DAB;NINDS_000956; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one; Spectrum3_000731; Esculoside; AIDS002655; DivK1c_000956; SPBio_000392; SMP1_000008; 7-hydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one hydrate; KBio2_003409; 7-hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-chromenone; ZINC03860441; Spectrum4_001923; 2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-; Crataegin; Polychrom; 6,7-Dihydrocoumarin-6-glucoside; HMS3373P07; KBio3_001502; KBio2_005977; Esculetin 6-b-D-glucoside; SDCCGMLS-0066653.P001; Bicolorin; SPECTRUM1500901; Escosyl; KBio2_000841; Spectrum2_000576; 531-75-9; BCBcMAP01_000202; AIDS-002655; Polychrome; IDI1_000956; Esculetin 6-O-glucoside; 81320_FLUKA; Polychrome solution; KBioGR_002266; Enallachrome; Esculin; Vitamin C2; 6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one hydrate; KBioSS_000841; Esculine; Spectrum_000361; KBio1_000956; A829428; BSPBio_002282; Spectrum5_000845; C09264; 6-(.beta.-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin; STOCK1N-51823; SR-01000633930-1; 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one | C15H16O9 | 340.28 g/mol | C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O |
| TCMBANKIN058288 | catechol | 430749_ALDRICH; Catechin (phenol); Pyrokatechin [Czech]; NCGC00015283-01; Catechol-UL-14C; NCI-C55856; CI Oxidation Base 26; CHEBI:18135; benzene-1,2-diol; C15571; 120-80-9; InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8; C9510_SIAL; Fouramine PCH; 135011_SIAL; Lopac-C-9510; 2-hydroxyphenol; NSC 1573; NCGC00091262-01; Fourrine 68; o-Diphenol; C.I. Oxidation Base 26; o-Dioxybenzene; C00090; ST5214346; (1,2,3,4,5,6-(1)?C?)BENZENE-1,2-DIOL; AB-131/40235236; Lopac0_000280; ortho-Benzenediol; Catechol (phenol); ortho-Hydroquinone; ZINC00330145; 16474-90-1; pyrocatechol; benzenediol; Brenzcatechin; 12385-08-9; C01785; EINECS 204-427-5; EU-0100280; nchembio801-comp10; o-Dihydroxybenzene; Durafur Developer CFouramine PCH; o-Hydroxyphenol; Phthalhydroquinone; 16474-89-8; Catechol-pyrocatechol; CCRIS 741; ACM19481108; AI3-03995; Pyrocatechinic acid; CI 76500; Durafur developer C; o-Phenylenediol; 1,2-dihydroxybenzene; ortho-Hydroxyphenol; Oxyphenic acid; BRN 0471401; c0097; pyrocatechol-ul-14C; CAQ; 37349-32-9; ortho-Dihydroxybenzene; AIDS-108194; C3561_SIAL; o-Benzenediol; ortho-Dioxybenzene; Katechol [Czech]; Pelagol Grey C; Pyrokatechol [Czech]; AIDS108194; Pyrocatechinic acidPyrocatechol; WLN: QR BQ; Pyrocatechine; 1,2-benzenediol; o-Hydroquinone; CATECHOL; Benzene, o-dihydroxy-; pyrocatechin; ortho-Phenylenediol; HSDB 1436; C9593_SIGMA; NSC1573; C.I. 76500;pyrocatechol;o-hydroquinone;o-phenylenediol;1,2-benzenediol | C6H6O2 | 110.11 g/mol | C1=CC=C(C(=C1)O)O |
| TCMBANKIN058322 | baicalein | 5,6,7-trihydroxyflavanone; KBio3_002435; NCGC00025282-03; 5,6,7-trihydroxy-2-phenyl-chromen-4-one; AIDS-000731; 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one; baicalein ; Sho-saiko-to; 5,6,7-trihydroxy-2-phenylchromen-4-one; ST057152; Spectrum_000427; SPECTRUM1504002; 5,6,7-trihydroxy-2-phenyl-chromone; KBio1_001798; KBio2_006043; NSC 661431; 11712_FLUKA; SDCCGMLS-0066744.P001; KBioSS_000907; CHEBI:2979; SMP1_000037; 5,6,7-trihydroxy-2-phenyl-4-chromenone; LMPK12140610; SPBio_000572; NCGC00025282-02; Dihydrobaicalein; Baicalein; 5,6,7-trihydroxy-2-phenyl-chroman-4-one; Spectrum4_000537; KBioGR_001173; 491-67-8; NCGC00017236-01; S00113; 465119_ALDRICH; Spectrum5_001418; Oprea1_765614; Tocris-1761; DivK1c_006854; NSC729192; AIDS000731; BSPBio_003215; SCHEMBL12068882; 5,6,7-Trihydroxyflavone; Spectrum3_001608; KBio2_003475; SpecPlus_000758; 5,6,7-Trihydroxy-2-phenyl-4H-1-benzopyran-4-one; NSC661431; NCGC00025282-01; 5,6,7-trihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one; C10023; Spectrum2_000466; TNP00121; KBio2_000907; ZINC00017881; Biacalein; 5,6,7-trihy-droxyflavone | C15H10O5 | 270.24 g/mol | C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O |
| TCMBANKIN058334 | benzene acetaldehyde | benzeneacetaldehyde; HY1; c0210; alpha-Tolyaldehyde; 1-Oxo-2-phenylethane; 107395_ALDRICH; Acetaldehyde,phenyl- (8CI); ZINC00895323; Phenylacetic aldehyde; alpha-Tolualdehyde; NSC406309; alpha-Toluic aldehyde; 2-phenylacetaldehyde; NSC 406309; CHEBI:16424; FEMA No. 2974; 122-78-1; Phenylacetaldehyde solution; .alpha.-Tolualdehyde; W287407_ALDRICH; PHENYLACETALDEHYDE; W287415_ALDRICH; Benzylcarboxaldehyde; .alpha.-Toluic aldehyde; hyacinthin; Acetaldehyde,phenyl-; Phenylethanal; InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H; NCIOpen2_003602; AI3-02175; 77800_FLUKA; Phenylacetaldehyde (natural); 2-Phenylethanal; Oxophenylethane; Benzeneacetaldehyde; EINECS 204-574-5; C00601; phenylacetaldehyde; Hyacinthin | C8H8O | 120.15 g/mol | C1=CC=C(C=C1)CC=O |
| TCMBANKIN058339 | 3-PhenylpropionicAcid | hydrocinnamic acid; Benzenepropanoic acid; HCI; phenylpropionic acid; InChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11; Benzenepropionic acid; Dihydrocinnamic acid; 4-09-00-01752 (Beilstein Handbook Reference); 135232_ALDRICH; W288918_ALDRICH; 3-phenylpropionic acid; BETA-PHENYLPROPIONIC ACID; CCRIS 3199; Hydrocinnamic acid (8CI); NSC9272; Benzenepropanoic acid; AI3-00892; FEMA No. 2889; 56670_FLUKA; .beta.-Phenylpropionic acid; Phenylpropanoic acid; AIDS-110926; 501-52-0; 3-Phenylpropanoic acid; beta-Phenylpropioic acid; Benzylacetic acid; Phenylpropionic acid; C05629; BRN 0907515; NSC 9272; ST5308541; Phenylpropanoate; 3-Phenyl-propionic acid; EINECS 207-924-5; AIDS110926 | C9H10O2 | 150.17 g/mol | C1=CC=C(C=C1)CCC(=O)O |
| TCMBANKIN058358 | benzyl-D-glucopyranoside | benzyl- D- glucopyrano- side;4304-12-5; TimTec1_005150; Benzyl .beta.-D-glucopyranoside; AIDS-186169; benzyl glucopyranoside; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(phenylmethoxy)tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(phenylmethoxy)oxane-3,4,5-triol; AIDS186169; ACon1_002322; (2R,3R,4S,5S,6R)-2-(benzyloxy)-6-methylol-tetrahydropyran-3,4,5-triol;(2S,3S,4S,5S,6R)-2-(benzyloxy)-6-methylol-tetrahydropyran-3,4,5-triol; (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(phenylmethoxy)tetrahydropyran-3,4,5-triol; ST5309395; B5782_SIGMA;Benzyl glucopyranoside;benzyl alcoholo-β-d-glucopyranoside;Benzyl alpha-D-mannopyranoside | C13H18O6 | 270.28 g/mol | C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O |
| TCMBANKIN058407 | THZ | NCGC00091399-01; EINECS 202-396-2; NSC 8040; FEMA Number 3256; AIDS-019689; FEMA No. 3256; Benzosulfonazole; BOT; c1128; 128366-28-9; ZINC00019726; o-2857; Vangard BT; 4-27-00-01069 (Beilstein Handbook Reference); AIDS019689; AC-907/25014160; W325600_ALDRICH; 101338_ALDRICH; 95-16-9; NSC8040; Benzothiazol; CCRIS 7893; HSDB 2796; BENZOTHIAZOLE; 1,3-benzothiazole; CHEBI:45993; InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5; WLN: T56 BN DSJ; Usaf ek-4812; 12797_FLUKA; AI3-05742; BRN 0109468; 1-Thia-3-azaindene; 4-Benzothiazol-2-yl-2-methyl-phenylamine; MLS002702269; cid_384525; 4-Benzothiazol-2-yl-2-methyl-phenyl amine; BB 0245167; MCULE-2465361022; 4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine; 2-(4'-amino-3'-methylphenyl)benzothiazole; T6913; NSC674495; LS-28095; STK027735; BAS 06856403; ZINC6701; EN300-231774; Benzothiazole, 2-(4-amino-3-methylphenyl)-; SBB007298; BB_SC-0831; MFCD00950805; CHEMBL11825; AC1L8NN0; IDBCUMFOZBUJCL-UHFFFAOYSA-N; BBL008089; MolPort-000-810-817; HMS3433D11; 4-(1,3-benzothiazol-2-yl)-2-methylaniline; ZB000649; 178804-04-1; CTK0E3411; SMR001565831; SR-01000319885; DF-203; BDBM50141278; 2-(4-amino-3-methylphenyl)benzothiazole; AKOS000108517; [4-(1,3-benzothiazol-2-yl)-2-methylphenyl]amine; NCI60_026383; NSC-674495; SR-01000319885-1; DTXSID30327656; SCHEMBL1326042; BB_SC-00831; 4-benzothiazol-2-yl-2-methylphenylamine; 4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine; ST077878; Benzenamine, 4-(2-benzothiazolyl)-2-methyl-; Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-; AK619236; 4-(benzo[d]thiazol-2-yl)-2-methylaniline; CCG-35258; ZERO/005854; IMED57809015; benzothiazole | C7H5NS | 135.19 | C1=CC=C2C(=C1)N=CS2 |
| TCMBANKIN058424 | L-2-Amino-3-(5-hydroxyindolyl)propionic acid | (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid; ST048776; NCGC00015526-01; NCGC00091062-04; CHEBI:17780; C00643; Lopac0_000627; NCGC00091062-01; Lopac-H-9772; (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; H9772_SIGMA; 107751_ALDRICH; 56570_FLUKA; 4350-09-8; L-5-HTP; EU-0100627;5-hydroxy-l-tryptophan | C11H12N2O3 | 220.22 g/mol | C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N |
| TCMBANKIN058450 | ADO | nchembio.2007.56-comp13; CHEBI:16335; Bio1_000437; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; AIDS-001224; 9beta-D-Ribofuranosyladenine; BSPBio_001796; beta-Adenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol; beta-D-Ribofuranoside, adenine-9; D00045; 46969-16-8; SDCCGMLS-0003108.P003; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; NSC 7652; Bio1_001415; Adenosine (JAN/USP); Spectrum2_001257; Spectrum3_000288; Adenosine, homopolymer; ADN; Caswell No. 010B; Adenocard; C00212; SR 96225; Adenocard (TN); EINECS 200-389-9; KBio3_001296; 9H-Purin-6-amine, 9beta-D-ribofuranosyl-; Polyadenosine; beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-; (2R,3R,4S,5R)-2-(6-amino-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; MLS000069638; AI3-52413; 9-beta-D-Ribofuranosidoadenine; A9251_SIGMA; Adenoscan (TN); Bio1_000926; ZINC02169830; CCRIS 2557; NCGC00023673-05; Ade-Rib; nchembio706-5; 30143-02-3; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; Adenosin [German]; NSC 627048; SMR000058216; 9-beta-D-Ribofuranosyladenine; SPBio_001194; beta-D-Adenosine; Adenosine [USAN:BAN]; Polyriboadenosine; (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; AIDS001224; 6-Amino-9beta-D-ribofuranosyl-9H-purine; ST009496; Adenoscan; A4036_SIGMA; SPECTRUM1500107; 46946-45-6;SCHEMBL170902; adenosine ; AKOS015960342; AC-5504; BC200893; Adenosine;adenosine;adeninenucleoside | C10H13N5O4 | 267.24 g/mol | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N |
| TCMBANKIN058486 | Heriguard | Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; Chlorogenic acid (8CI); Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1.alpha.,3.beta.,4.alpha.,5.alpha.)]-; SDCCGMLS-0066467.P001; 202650-88-2; ACon1_000581; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; NSC407296; C00852; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Chlorogenic acid hemihydrate; Spectrum5_000733; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16112; C12209; Prestwick0_000427; CCRIS 1400; Prestwick3_000427; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; EINECS 206-325-6; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick2_000427; 3-Caffeoylquinic acid; BSPBio_000414; DivK1c_007053; KBio1_001997; BPBio1_000456; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SMP1_000066; KBio2_002354; KBio2_004922; AIDS-012116; C3878_SIGMA; Caffeoyl quinic acid; SPECTRUM210800; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 25700_FLUKA; trans-5-O-Caffeoyl-D-quinate; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); SPBio_001836; BSPBio_003353; KBio3_002855; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; BB_NC-1939; NSC70861; NSC 407296; Chlorogenic acid; Chlorogenate; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; Spectrum3_001797; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; Spectrum2_001898; AIDS012116; Spectrum_001846; 3-O-Caffeoylquinic acid; SPBio_002353; KBio2_007490; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; KBioSS_002357; NSC 70861; 3-(3,4-Dihydroxycinnamoyl)quinic acid; Prestwick1_000427; Hlorogenic acid; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; SpecPlus_000957; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; 327-97-9; Chlorogenic acid (8CI); (+)-Chlorogenic acid; ZINC2138728; AJ-33519; SDCCGMLS-0066467.P001; 3-(3,4-Dihydroxycinnamoyl)quinate; Hoodia Chinese Extract; [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NCGC00168941-03; AK-49688; CCRIS 1400; 3-CQ; 3-Caffeoylquinic acid; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; BPBio1_000456; Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts) [DSC]; 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; UNII-318ADP12RI; 5-Caffeoylquinic acid; BB_NC-1939; (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHLOROGENIC ACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; 3-O-Caffeoylquinic acid; Caffetannic acid; Chlorogenic acid [MI]; ALBB-030169; 202650-88-2; CCG-38471; Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; C00852; trans-5-O-Caffeoylquinic acid; HMS1923C11; MLS002153805; trans-5-O-caffeoyl-D-quinate; MolPort-035-394-873; CHEBI:16112; 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid; SMR000857273; Prestwick2_000427; Chlorogenic acid [WHO-DD]; SR-01000946600-1; Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard; MCULE-8135887819; SR-01000841185; ACT03375; SPECTRUM210800; edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; SR-01000946600; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid; PubChem13036; 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; Chlorogenate; AC1LX54Y; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID; Chlorogenic?acid; Quinic acid, 3-caffeoyl-, E-; NCGC00168941-01; AC-6032; AKOS015955866; 32CF6D13-8F08-485F-B79E-F8A6AC318E07; (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-; (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; TL8001703; [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; NSC-407296; 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid; Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard; Hlorogenate; 3-trans-Caffeoylquinic acid; BG00688012; ACon1_000581; Chlorogenic acid, Chiral; HMS2235F03; NSC407296; J10338; ST2419179; Quinic acid, 5-caffeoyl-; CC-919; 318ADP12RI; Prestwick3_000427; EINECS 206-325-6; NCGC00168941-02; 3-o-caffeoylquinic acid ; CHEBI:95271; BIDD:ER0453; (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; 327C979; 3-Caffeoylquinate; HY-N0055; 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate); NSC70861; (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-; CHEMBL284616; CWVRJTMFETXNAD-JUHZACGLSA-N; 5-CQA; NSC 70861; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid; bmse000387; Hlorogenic acid; LS-1202; SCHEMBL19466; (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid; MolPort-001-740-212; Chlorogenic acid (constituent of st. john's wort) [DSC]; RL03176; Chlorogenic acid, primary pharmaceutical reference standard; AS-12284; MFCD00003862; 3-CQA; NSC-70861; Spectrum5_000733; D02HCQ; DB12029; SR-01000841185-4; HMS2096E16; s2280; Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; SC-13943; HMS3649E06; Chlorogenic acid, >=95% (titration); I04-11738; 5-caffeoyl quinic acid; 3-O-caffeoyl quinic acid; CS-3766; Caffeoyl quinic acid; Chlorogenicacid; BSPBio_003353; BDBM50327036; BC202916; NSC 407296; HMS1569E16; caffeoylquinic acid; CP chlorogenic acid; 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate; 3-O-caffeoyl-D-quinic acid; trans-Caffeic acid 5-o-D-quinate; (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; Heriguard; 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid; cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-; Prestwick_112; 3-(3,4-Dihydroxycinnamoyl)quinic acid; BRD-K47114202-001-06-2; D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43; BSPBio_000414; 327-97-9; CC0158; K-7597; 3-o-caffeoylquinic acid; caffetannic acid;caffeoylquinic acid ; 3- caffeoylquinic acid; 4-o-caffeoyl-d-quinic acide; [3-4] Chlorogenic acid; Chlorgenic acid; 4-o-caffeoyl-d-quinic acide; 5-caffeoylquinic acid; isochlorogenic acid; 5-Dicaffeoylquinic acid; isochlorogenic acid a; 5-o-caffeoylquinic acid; (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; 5-o-caffeoylquinic acid ; 5-Caffeylquinic acid; trans-5-O-caffeoyl-D-quinic acid; 5- O- caffeoylquinicacid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; ACon1_000392; 5- o -caffeoylquinic acid; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid; 1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 906-33-2; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; CHEBI:16384; EINECS 212-997-1; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; BIB6027; 3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid; NSC-407297; AKOS022146313; neochlorogenicacid; CWVRJTMFETXNAD-DUXPYHPUSA-N; BDBM153327; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid; 5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,4-trihydroxycyclohexanecarboxylic acid; neo-chlorogenic,acid; 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid; STL377917; 5-caffeoylquinic acid; neo-chlorogenic acid; NSC407297; ZX-AT010530; Isochlorogenic acid; 5-O-caffeoyl quinic acid; 5Z-Caffeoylquinic acid; AC1NSTIZ; BBL028113; OR1166; BPH-1068; 534-61-2; SCHEMBL1228850; MolPort-001-759-169; neochlorogenic acid; 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid; Neochlorogenic acid; isochlorogenic acid; isochlorogenicacid; ZINC3947476; NCGC00142471-01; NCGC00017241-02; AKOS025402181; CHEMBL1552319; AC-6051; chorogenic acid; 1,3-caffeoylquinic acid | C16H18O9 | 354.31g/mol | C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O |
| TCMBANKIN058534 | 6-Hydroxynaringenin | 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (2S)-; 4H-1-Benzopyran-4-one, 2,3-dihydro-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-, (S)-; 479-54-9; Flavanone, 4',5,6,7-tetrahydroxy-; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4-chromanone; (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one; SCHEMBL476289; LMPK12140618; Carthamidin; 5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one; Ambotz529-53-3; carthamidin | C15H12O6 | 288.25 g/mol | C1C(OC2=C(C1=O)C(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O |
| TCMBANKIN058661 | C08464 | 2060-59-5; Tridec-1-ene-3,5,7,9,11-pentayne; 1-Tridecene-3,5,7,9,11-pentyne; 1-Tridecen-3,5,7,9,11-pentayne; tridec-1-en-3,5,7,9,11-pentayne; 1-Tridecene-3,5,7,9,11-pentayne;1-tridecene-3,5,7,9,11-pentyne | C13H6 | 162.19 g/mol | CC#CC#CC#CC#CC#CC=C |
| TCMBANKIN058662 | (E)-1,3-Tridecadiene-5,7,9,11-tetrayne | (3E)-trideca-1,3-dien-5,7,9,11-tetrayne; 1,3-tridecadiene-5,7,9,11-tetrayne | C13H8 | 164.2 g/mol | CC#CC#CC#CC#CC=CC=C |
| TCMBANKIN058664 | (e,z)-1,3,5-tridecatriene-7,9,11-triyne | AC1NS2VD; (3E,5Z)-trideca-1,3,5-trien-7,9,11-triyne; AJWRNFIZKHPOHC-STRRHFTISA-N; (E,Z)-1,3,5-Tridecatriene-7,9,11-triyne;7-Chloro-2,4-quinolinedicarboxylic acid;Trideca-1,3,5-triene-7,9,11-triyne; (3E,5E)-trideca-1,3,5-trien-7,9,11-triyne; (E,E)-1,3,5-Tridecatriene-7,9,11-triyne | C13H10 | 166.22 g/mol | CC#CC#CC#CC=CC=CC=C |
| TCMBANKIN058704 | lupeol | AC-1371; AKOS015960466; SCHEMBL14067725; 4CN-0933; C08628; BC201808; Lup-20(29)-en-3.beta.-ol; NSC90487; ZINC04081455; D0RA6H; Lupeol; LMPR01060013; lupeol ; Monogynol B; .beta.-Viscol; NCI60_042005; lup-20(29)-en-3beta-ol; Lupenol | C30H50O | 426.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C |
| TCMBANKIN059086 | Phenol, 2,4-bis(1,1-dimethylethyl) | phenol,2,4-bis(1,1-dimethylethyl);Phenol, 2,4-di(1,1-dimethylethyl)-; Prodox 146A-85X; WLN: 1X1&1&R BQ CX1&1&1; 137731_ALDRICH; ZINC01081075; 96-76-4; EINECS 202-532-0; 2,4-DI-T-BUTYLPHENOL; 1-Hydroxy-2,4-di-tert-butylbenzene; InChI=1/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H; Phenol, 2,4-di-tert-butyl-; Prodox 146; NSC174502; 4-06-00-03493 (Beilstein Handbook Reference); 2,4-ditert-butylphenol; NSC 174502; ST5308551; 2,4-Di-tert-butylphenol; Phenol, 2,4-bis(1,1-dimethylethyl)-; NCGC00164059-01; 50356-26-8; 34785_FLUKA; BRN 1910383;2,4-di-tert-butylphenol;Antioxidant No. 33 | C14H22O | 206.32 g/mol | CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C |
| TCMBANKIN059230 | isovalericacid | LS-2386; ST5213941; Iva; Butanoic acid , 3-methyl-; Butyric acid, 3-methyl-; Kyselina isovalerova [Czech]; W310212_ALDRICH; Isobutyl formic acid; beta-Methylbutyric acid; 92634-50-9; 503-74-2; CHEBI:28484; WLN: QV1Y1&1; EINECS 207-975-3; 3-Methylbutyrate; isovaleric acid; METHYLBUTANOIC ACID; 4-02-00-00895 (Beilstein Handbook Reference); InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7; NSC62783; Isovaleric acid (natural); 3-Methylbuttersaeure; Delphinic acid; 129542_ALDRICH; AI3-24132; NSC 62783; Butanoic acid, 3-methyl-, (R)-; FEMA Number: 3102; 3-methyl-butanoic acid; Acetic acid, isopropyl-; Isovaleriansaeure; 3-Methylbutyric acid; C08262; 3,4-Diisovaleryl adrenaline; HSDB 629; Isovalerianic acid; .beta.-Methylbutyric acid; BRN 1098522; 59850_FLUKA; Isopropylacetic acid; LMFA01020181; Isobutylformic acid; FEMA No. 3102; Isovaleric acid; Butanoic acid, 3-methyl-; W310204_ALDRICH; Isopentanoic acid; Isovalerianic; 35915-22-1; 3-Methylbutanoic acid | C5H10O2 | 102.13 g/mol | CC(C)CC(=O)O |
| TCMBANKIN059249 | CLR | 5-Cholesten-3b-ol; Hydrocerin; 5:6-Cholesten-3beta-ol; 209124-38-9; Lidinite; 5:6-Cholesten-3.beta.-ol; Tegolan (VAN); C1231_SIGMA; 3-beta-Hydroxycholest-5-ene; Delta5-Cholesten-3beta-ol; C3292_SIGMA; (3H)-Cholesterol; 20808_RIEDEL; S5442_SIGMA; Cholest-5-en-3-ol, (3-.beta.)-; Super hartolan; Cholesterol (JP15/NF); AIDS338945; 5:6-Cholesten-3-ol; nchembio782-comp1; 3beta-Hydroxy-5-cholestene; delta(sup 5)-Cholesten-3-beta-ol; Dusoline; CHOLESTEROL; D00040; C00187; Provitamin D; Wool alcohols B. P.; Cholest-5-en-3-ol, (3beta)-; Synthetic cholesterol; Dythol; CMC_13392; HSDB 7106; 3beta-Hydroxycholest-5-ene; Cordulan; 5,6-Cholesten-3.beta.-ol; Cholest-5-en-3.beta.-ol; 57-88-5; Kathro; Dusoran; (3beta)-cholest-5-en-3-ol; WLN: L E5 B666 LUTJ A1 E1 FY1&3Y1&1 OQ; 3.beta.-Hydroxycholest-5-ene; 26740_FLUKA; Cholesterol base H; Cholest-5-en-3-ol (3beta)-, labeled with tritium; NCGC00159351-02; 80356-14-5; Cholest-5-en-3-ol, (3.beta.)-; Cholestrin; 5-Cholesten-3beta-ol; ZINC03875383; 218965-24-3; 26732_FLUKA; Cholesterin; C8667_SIGMA; 22243-67-0; Lidinit; Phospholipon & Cholesterol; CHEBI:16113; SyntheChol NS0 Supplement; NSC 8798; nchembio.77-comp1; AI3-03112; Lanol; Cholestrol; AIDS080405; Cholest-5-en-3-ol (3beta)-; 5-Cholesten-3.beta.-ol; SyntheChol; NSC8798; Cholesterol solution; Cholesterol [USAN:JAN]; Nimco cholesterol base H; C8503_SIGMA; BB_NC-0135; SMP1_000069; C3137_SIGMA; Cholesterine; 47127U_SUPELCO; Cholest-5-en-3-beta-ol; Nimco cholesterol base No. 712; AIDS-338945; Cholesteryl alcohol; C3045_SIGMA; 14606_FLUKA; Soya phospholipon & Cholesterol (2:1 molar ratio); AIDS-080405; LMST01010001; CCRIS 2834; (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; Cholest-5-en-3beta-ol; Cholesterol (TN); EINECS 200-353-2; Tegolan;cholesterol;8(14)-dehydrocholesterol; 177962-82-2; SCHEMBL5347436; cholesta-5,8(14)-dien-3beta-ol; DJNCIOAUQVURTQ-RQZUOROGSA-N | C27H46O | 386.65 | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| TCMBANKIN059296 | 15alpha,20beta-dihydroxy-delta4-pregnen-3-one;15,20-dihydroxypregn-4-en-3-one;15α,20β-dihydroxy-Δ4-pregnen-3-one | C21H32O3 | 332.5 g/mol | CC(C1CC(C2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)O | |
| TCMBANKIN059421 | (z, z)-1, 3, 11-tridecatriene-5, 7, 9-triyne | C13H10 | 166.22 g/mol | CC=CC#CC#CC#CC=CC=C | |
| TCMBANKIN059423 | (e, e, e)-1,3,5,11-tridecatetraene-7,9-diyne | C13H12 | 168.23 g/mol | CC=CC#CC#CC=CC=CC=C | |
| TCMBANKIN059711 | beta carotene | C40H56 | 536.87 | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C | |
| TCMBANKIN059724 | Phenol, 2-methyl-5-(1-methylethyl) | C10H14O | 150.22 g/mol | CC1=C(C=C(C=C1)C(C)C)O | |
| TCMBANKIN059746 | α-tocopherol | C29H50O2 | 430.7 g/mol | CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C | |
| TCMBANKIN059829 | 3,4,5-Trimethoxytoluene | C10H14O3 | 182.22 | CC1=CC(=C(C(=C1)OC)OC)OC | |
| TCMBANKIN059884 | blumenol a | C13H20O3 | 224.3 g/mol | CC1=CC(=O)CC(C1(C=CC(C)O)O)(C)C | |
| TCMBANKIN059901 | p-xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C | |
| TCMBANKIN059908 | xylene | C8H10 | 106.17 | CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.CC1=CC=CC=C1C | |
| TCMBANKIN059948 | Vitamin- G | C17H20N4O6 | 376.36 | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O | |
| TCMBANKIN060128 | (-)-17-hydroxy-16beta-kauran-19-oic acid | CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)C(=O)O | |||
| TCMBANKIN060264 | rutin | C27H30O16 | 610.5 g/mol | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060690 | 5,25-stigmastadienol | C29H48O | 412.7 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=C)C | |
| TCMBANKIN060691 | poriferast-5-en-3beta-ol;22,23-dihydrostigmasterol;gamma-sitosterol;clionasterol;beta-dihydrofucosterol | C29H50O | 414.71 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060693 | Sitogluside | C35H60O6 | 576.85g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060735 | EB | C8H10 | 106.16 g/mol | CCC1=CC=CC=C1 | |
| TCMBANKIN060758 | deca-4,6-diynyl 3-methylbutanoate | C15H22O2 | 234.33 g/mol | CCCC#CC#CCCCOC(=O)CC(C)C | |
| TCMBANKIN060790 | leaf aldehyde | C6H10O | 98.14 g/mol | CCCC=CC=O | |
| TCMBANKIN060868 | trans-2,4-decadienal | C10H16O | 152.23 g/mol | CCCCCC=CC=CC=O | |
| TCMBANKIN060874 | Ligla; gamma-linolenic acid | C18H30O2 | 278.43 | CCCCCC=CCC=CCC=CCCCCC(=O)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060905 | Ricineic acid | C18H32O2 | 280.45 | CCCCCCC=CC=CCCCCCCCC(=O)O | |
| TCMBANKIN060910 | cis-9-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060980 | caproic acid;capric acid;n-decanoic acid;NON | C10H20O2 | 172.26 g/mol | CCCCCCCCCC(=O)O | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061006 | lauric acid | C12H24O2 | 200.32 | CCCCCCCCCCCC(=O)O | |
| TCMBANKIN061014 | n-dodecanal | C12H24O | 184.32 g/mol | CCCCCCCCCCCC=O | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061037 | 1-pentadecene | C15H30 | 210.4 g/mol | CCCCCCCCCCCCCC=C | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061054 | 1-hexadecene;Cetene;hexadecylene-1 | C16H32 | 224.42 g/mol | CCCCCCCCCCCCCCC=C | |
| TCMBANKIN061072 | Glycerol alpha-Monopalmitate | C19H38O4 | 330.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC(CO)O | |
| TCMBANKIN061073 | glyceride-1,3-dipalmito-2-sorbate | C41H74O6 | 663 g/mol | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C=CC=CC | |
| TCMBANKIN061079 | hexahydroaplotaxene | C17H34 | 238.5 g/mol | CCCCCCCCCCCCCCCC=C | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061095 | TGL | C57H110O6 | 891.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061116 | n-docosane;TWT;docosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061120 | Nonacosanediol-6,8 | C29H60O2 | 440.79 | CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O | |
| TCMBANKIN061131 | PENTACOSANE | C25H52 | 352.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061137 | Octacosane | C28H58 | 394.76 | CCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061139 | n-nonacosane | C29H60 | 408.79 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061142 | n-Dotriacontane | C32H66 | 450.9 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061149 | 1-dotriacontanol | C32H66O | 466.9 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061245 | Acetic ether | C4H8O2 or CH3COOC2H5 | 88.11 g/mol | CCOC(=O)C | |
| TCMBANKIN061577 | FER | Ferulate; Coniferic acid; Cinnamic acid, 4-hydroxy-3-methoxy- (8CI); KBio1_001587; Spectrum5_000554; SDCCGMLS-0066667.P001; NCGC00094889-02; AIDS017864; 3-methoxy-4-hydroxy-trans-cinnamic acid; CCRIS 3256; trans-4-Hydroxy-3-methoxycinnamic acid; 97274-61-8; (E)-4'-Hydroxy-3'-methoxycinnamic acid; Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-; SBB000326; Cinnamic acid, 4-hydroxy-3-methoxy-; NCGC00094889-03; InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; SMR000112202; 4-Hydroxy-3-methoxycinnamic acid; 3-Methoxy-4-hydroxy-trans-cinnamate; Ferulic acid, trans-; 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Spectrum2_001394; KBio3_002388; 4-Hydroxy-3-methoxy cinnammic acid; 1135-24-6; CHEBI:17620; transferulic acid NCGC00094889-01; EINECS 208-679-7; Spectrum3_001434; NCI60_002312; NSC51986; Ferulic acid dehydrogenation homopolymer; EINECS 214-490-0; CCRIS 7575; KBio2_006872; KBio2_004304; FERULOATE; 537-98-4; Spectrum_001256; caffeic acid 3-methyl ether; 128708_ALDRICH; Cinnamic acid, 4-hydroxy-3-methoxy-, trans-; NSC 674320; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)- (9CI); MLS001066385; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; BSPBio_003168; NSC2821; SPBio_001408; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-; 46278_FLUKA; (E)-Ferulic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; 3-methoxy-4-hydroxycinnamic acid; FERULIC-ACID; SpecPlus_000547; KBioSS_001736; AIDS-017864; Spectrum4_001897; (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid homopolymer; SPECTRUM1501017; FERULIC ACID (TRANS); 3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid; (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; DivK1c_006643; C01494; KBioGR_002459; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; NSC 51986; 3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid; ferulic acid; KBio2_001736; CINNAMIC ACID,4-HYDROXY,3-METHOXY FERULIC ACID; NSC 2821; W518301_ALDRICH; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; Trans-ferulic acid; 3-methoxy-4-hydroxycinnamic acid | C10H10O4 | 194.18 g/mol | COC1=C(C=CC(=C1)C=CC(=O)O)O |
| TCMBANKIN061762 | syringaresinol | (+)-Suyringaresinol-di-O-beta-D-glucoside_qt; (+)syringaresinol; (+)-Suyringaresinol-di-O-beta-D-glucoside; liriodendrin_qt; dl-Syringaresinol; syringaresinol diglucoside_qt; dl-sy-ringaresinol; (+)-syringaresinol-O-β-D-glucopyranoside; (+ )-syringaresinol; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxy-phenol; 21453-69-0; C10889; (7alpha,7'alpha,8alpha,8'alpha)-3,3',5,5'-tetramethoxy-7,9':7',9-diepoxylignane-4,4'-diol; CHEBI:47; 4-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[4,3-c]furan-1-yl]-2,6-dimethoxyphenol; (+)-syringaresinol; (+ )- syringaresinol; dl-syringaresinol; (-)-syringaresinol; episyringaresinol; (+)-syringarosinol; (+ )-Syringaresinol-O-β-D-glucopyranoside; syringaresino; (-)-syringaresinol; (?)-syringaresinol; (+)-Syringaresinol; lirioresinol-A | C34H46O18 | 742.72 | COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC |
| TCMBANKIN061805 | myristicin; 1,3-Benzodioxole,4-methoxy-6-(2-propenyl)-; asaricin | 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole; 04PD6CT78W; BNWJOHGLIBDBOB-UHFFFAOYSA-N; 4-methoxy-6-prop-2-enyl-1,3-benzodioxole; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-; V0156; STK693140; Myristicin, analytical standard; ZB013050; Myristicin from parsley leaf oil, >=85% (HPLC), oil; UNII-04PD6CT78W; CCG-208543; NCGC00257726-01; Myristicin; 4-Methoxy-6-[2-propenyl]-1,3-benzodioxole; C10480; FCH920323; 6-Allyl-4-methoxy-1,3-benzodioxole; Myristicine; Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-; HMS2270K14; SCHEMBL68041; BRN 0166218; NCGC00091427-03!4-methoxy-6-prop-2-enyl-1,3-benzodioxole; DSSTox_RID_77884; 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)- (9CI); SBB014760; CAS-607-91-0; 607M910; SR-01000838340-3; 1-Allyl-3-methoxy-4,5-methylenedioxybenzene; M9411_SIGMA; 6-allyl-4-methoxy-1,3-benzodioxol; 1-Methoxy-2,3-methylenedioxy-5-(2-propenyl)benzene; ZERO/009047; AKOS005604763; Myristicin (6CI); MFCD00133549; Myristicin from parsley leaf oil; LS-2163; DSSTox_CID_5693; MLS001065535; MCULE-6209105333; 607-91-0; 4-methoxy-6-(prop-2-en-1-yl)-1,3-benzodioxole; CHEBI:68234; DSSTox_GSID_25693; CCRIS 6782; Tox21_200172; 5-Allyl-2,3-(methylendioxy)anisole; 4-methoxy-6-prop-2-enyl-2H-benzo[d]1,3-dioxolene; 4-Methoxy-6-(2-propenyl)-1,3-benzodioxole, 9CI; ST097616; 3-methoxy,4,5-methylenedioxy-allylbenzene; EINECS 210-146-9; 5-Allyl-1-methoxy-2,3-(methylenedioxy)-Benzene; NCGC00091427-02; MolPort-003-925-569; 4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole; CHEMBL481044; SC-21462; SMR000112534; API0025964; CTK5J3915; HSDB 3516; AC1L1HSS; AN-46392; ZINC403089; DTXSID1025693; FT-0672575; 5-19-02-00631 (Beilstein Handbook Reference); 09237_FLUKA; 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene; SR-01000838340; NCGC00091427-01; myristicin; 1-allyl-3,4-methylenedioxy-5-methoxybenzene | C11H12O3 | 192.21 g/mol | COC1=CC(=CC2=C1OCO2)CC=C |
植物对应的疾病
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植物对应的靶点
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