Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE004087 |
YEM_ID: | YEM-220 |
ID: | TCMBANKHE004087/YEM-220 |
植物拉丁名: |
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功能与主治: | To kill worms./Ascariasis, oxyuria disease, child gan accumulation. |
药用植物名: | 使君子 |
药名: | 使君子 |
来源: | 云南民族药物志：第二卷 |
药用部位: | ripe fruit |
使用民族: | 阿昌族/傣族/德昂族/景颇族/傈僳族/普米族/佤族/瑶族 |
药味: | Warm; Sweet |
经络: | Spleen; Stomach |
治疗类型: | 驱虫药 |
TCM_ID_id: | 2202 |
SymMap_id: | 375 |
TCMSP_id: | 655 |
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 |
|---|
| 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 |
| TCMBANKIN000328 | 4,8-dimethyl-Undecane | 4,8- dimethyl-Undecane | C13H28 | 184.36 | CCCC(C)CCCC(C)CCC |
| TCMBANKIN001993 | Tritetracontane | tritetracontane | C43H88 | 605.2 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| TCMBANKIN002539 | pelargonidin | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1lambda-chromen-1-ylium; Pelargonidin-3,5-diglucoside_qt; 7690-51-9; C05904; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium; XVFMGWDSJLBXDZ-UHFFFAOYSA-O; 3,4',5,7-Tetrahydroxyflavylium; anthocyanidin; pelargonidin 3,5-di-O-glycoside_qt; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium; CHEBI:25863; 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol; 2-(4-hydroxyphenyl)-1-benzopyrylium-3,5,7-triol; LMPK12010003; CHEMBL591036; pelargonidin-3-O-glucoside_qt; pelargonidin-3,5-di-O-glucoside_qt; BDBM50121994; CHEMBL1197905; A806724; BDBM50326998; 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-; SCHEMBL20592; 134-04-3 (chloride); ZINC391840; Pelargonidin; AC1L9A0P; ZB012073 | C15H11O5+ | 271.24 g/mol | C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2O)O)O)O |
| TCMBANKIN002879 | arachidonic acid | (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid; cis-5,8,11,14-Eicosatetraenoic acid; 3435-81-2; 5Z,8Z,11Z,14Z-icosatetraenoic acid; cis,cis,cis,cis-5,8,11,14-Eicosatetraenoic acid; C00219; ACD; Arachidonsaeure; arachidonicacid; DTXSID40473870; (5Z,8Z,11Z,14Z)-Icosatetraenoic acid; ST069383; 93444-49-6; (14C)Arachidonic acid; NCGC00094608-04; 5,8,11,14-Eicosatetraenoic acid, labeled with carbon-14, (all-Z)-; A3555_SIGMA; 5Z,8Z,11Z,14Z-eicosatetraenoic acid; all-cis-5,8,11,14-eicosatetraenoic acid; IDI1_034009; ARACHIDONIC ACID, [1-14C]-; BSPBio_001539; NCGC00094608-02; NCGC00094608-03; AIDS045704; CHEBI:15843; NCGC00094608-01; (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid; cis-Delta(5,8,11,14)-eicosatetraenoic acid; A3925_SIGMA; ACM3435812; Spectrum5_001910; Arachidonic acid-carboxy-14C; A9673_SIGMA; LMFA01030001; AIDS-045704; 10931_FLUKA; <i>cis,cis,cis,cis</i>-5,8,11,14-Eicosatetraenoic Acid | C20H32O2 | 304.5 g/mol | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O |
| TCMBANKIN003113 | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethylhex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | C29H48O | 412.69 | |
| TCMBANKIN003242 | 5,7-di-O-β-D-glucopy-ranosyl-2(S)-naringenin | ||||
| TCMBANKIN003387 | 12-olide | ||||
| TCMBANKIN004002 | Yibeinoside B | yibeinoside b; (5alpha,17beta)-3beta-(beta-D-Glucopyranosyloxy)cevane-6-one; 150134-44-4; Cevan-6-one, 3-(beta-D-glucopyranosyloxy)-, (3beta,5alpha,17beta,22beta)-; AC1L4UDO | C33H53NO7 | 575.78 | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C |
| TCMBANKIN004294 | imperialinen-oxide | C27H43NO4 | CC1CCC2C(C3CCC4C(C3C[N+]2(C1)[O-])CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O | ||
| TCMBANKIN006395 | [(2S)-2,3-dihydroxypropyl] octadecanoate | octadecanoic acid [(2S)-2,3-dihydroxypropyl] ester | 358.63 | ||
| TCMBANKIN006470 | Yinyanghuo A | SCHEMBL3679541; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl)-, (-)-; 5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one; 174391-72-1; 5,7-dihydroxy-8'-(2-hydroxy-3-methylbut-3-en-1-yl)-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one; AC1NSSZB; CHEMBL462969; CHEBI:66492; yinyanghuo a; LMPK12110428 | C25H24O6 | 420.5 g/mol | CC(=C)C(CC1=CC(=CC2=C1OC(C=C2)(C)C)C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O |
| TCMBANKIN006754 | MLT | NSC9232; 97-67-6; nchembio867-comp7; 02288_FLUKA; L-2-Hydroxybutanedioic acid; M7397_SIGMA; L-Apple acid; (2S)-2-hydroxysuccinic acid; L-Malic acid; 112577_ALDRICH; S-(-)-Malic acid; M1000_SIGMA; C00149; (-)-Hydroxysuccinic acid; L-(-)-Malic acid; L-(−)-Malic acid; (2S)-2-Hydroxybutanedioic acid; (S)-(−)-2-Hydroxysuccinic acid; (S)-Malic acid; (-)-Malic acid; MALIC ACID, (L); M6413_SIGMA; CHEBI:30797 | C4H6O5 | 134.09 | C(C(C(=O)O)O)C(=O)O |
| TCMBANKIN007278 | potassium quisqualata | ||||
| TCMBANKIN007606 | stigmasta-4, 25-dien-3-one | C29H46O | 410.7 g/mol | CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=C)C | |
| TCMBANKIN007837 | astibin | ||||
| TCMBANKIN008101 | tetradecanoic acid | SCHEMBL136610; A830197 | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O |
| TCMBANKIN008445 | 3,3',4'-tri-O-methylellagic acid | 3,3',4 '-tri-O-methylellagic acid | C17H12O8 | COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)OC)C(=O)O2)O | |
| TCMBANKIN009931 | 3,3',4 '-tri-O-methylellagic acid-4-O-β-D-glucopyranoside | ||||
| TCMBANKIN010584 | 2- Methyldecane | 2-methyldecane | C11H24 | 156.31 | CCCCCCCCC(C)C |
| TCMBANKIN010795 | Yibeissine | 3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one; AC1NSSZ8; 22,26-imino-17,23-oxidojerv-12-en-6-oxo-3β,11α-diol; yibeissine | C27H41NO4 | 443.62 | CC1CC2C(C(C3(O2)CCC4C5CC(=O)C6CC(CCC6(C5C(C4=C3C)O)C)O)C)NC1 |
| TCMBANKIN011351 | 1-LINOLEOYL-3-PALMITOYL-RAC-GLYCEROL | C37H68O5 | 592.93 | CCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC=CCC=CCCCCC)O | |
| TCMBANKIN012130 | Yibeinoside C | AC1NSSZ5; 3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one; yibeinoside c | C39H65NO12 | 739.93 | CC1CCC(NC1)C(C)C2CCC3C2(CCC4C3CC(=O)C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C |
| TCMBANKIN012303 | 3-O-methylellagic acid-4'-O-β-D-xylopyroside | C20H16O12 | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O)OC5C(C(C(CO5)O)O)O | ||
| TCMBANKIN013481 | (-) -istanbulin a | (-)-istanbulin a | C15H20O4 | 264.32 g/mol | CC1CCC(=O)C2C1(CC3=C(C(=O)OC3(C2)O)C)C |
| TCMBANKIN019690 | brevioflin carboxylic acid | C13H8O8 | 292.2 | ||
| TCMBANKIN020105 | 1,2,4- triethenyl- Cyclohexane | C12H18 | 162.27 g/mol | C=CC1CCC(C(C1)C=C)C=C | |
| TCMBANKIN021481 | 3-O-methylellagicacid-3'-O-β-D-xylopyroside | ||||
| TCMBANKIN021605 | Decahydro- 4,4,8,9,10- pentamethylnaphthalene | ||||
| TCMBANKIN023261 | chloranthalactone b | C15H16O3 | 244.28 g/mol | CC1=C2CC3C(=C)C4CC4C3(C5C2(O5)OC1=O)C | |
| TCMBANKIN023789 | Punicalagin_qt | C48H28O30 | 1084.72 | ||
| TCMBANKIN025221 | NONAHEXACONTANOIC ACID | Nonahexacontanoic acid; 40710-32-5 | C69H138O2 | 999.83 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
| TCMBANKIN026692 | 1,6-Dimethylnaphthalene | Naphthalene, 1,6-dimethyl-; HSDB 6024; NCGC00091292-01; 1,6- Dimethylnaphthalene; NSC52966; WLN: L66J B1 H1; 45785_RIEDEL; 575-43-9; 40808_FLUKA; AI3-17608; Naphthalene, 1,6-dimethyl- (8CI)(9CI); 1,6-dimethyl naphthalene; C14217; 250937_ALDRICH; EINECS 209-385-1; NSC 52966 | C12H12 | 156.22 | CC1=CC2=CC=CC(=C2C=C1)C |
| TCMBANKIN027324 | 1- Cyclohexylnonene | C15H28 | 208.38 g/mol | CCCCCCCC=CC1CCCCC1 | |
| TCMBANKIN027924 | cis, trans- 2,9- Dimethylspiro［5． 5］undecane | ||||
| TCMBANKIN028157 | 3- methyl-Heneicosane | C22H46 | 310.6 g/mol | CCCCCCCCCCCCCCCCCCC(C)CC | |
| TCMBANKIN030896 | Siraitic acid A | siraiticacid a; siraitic acid a | C29H44O5 | 472.66 | CC1C(CCC2C13CCC4C2(CO3)C(=O)CC5(C4(CCC5C(C)CCC=C(C)C(=O)O)C)C)O |
| TCMBANKIN031675 | clerosterol-3-O-β-D-glucopyranoside | ||||
| TCMBANKIN033140 | CHLORANTHALACTONE A | NSC334031; Dehydroshizukanolide; chloranthalactone a; 66395-02-6 | C15H16O2 | 228.29 | CC1=C2CC3C(=C)C4CC4C3(C=C2OC1=O)C |
| TCMBANKIN033702 | citric acid | InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12; NCGC00090954-02; NCGC00090954-01; HSDB 911; CIT; Citric acid (8CI); BRN 0782061; NCIStruc2_000099; 27109_RIEDEL; AIDS-017733; 1,2,3-PROPANETRICARBOXYLIC ACID,2-HYDROXY (CITRIC ACID); citr; 27488_FLUKA; FEMA No. 2306; E 330; 27485_FLUKA; 27487_FLUKA; 77-92-9; C2404_SIGMA; 2-Hydroxytricarballylic acid; NCIOpen2_004502; F 0001 (polycarboxylic acid); EPA Pesticide Chemical Code 021801; AI3-06286; 245654-34-6; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Citretten; Kyselina citronova; 2-hydroxypropane-1,2,3-tricarboxylic acid; Anhydrous citric acid; Citrate standard for IC; C83155_SIAL; LS-2418; WLN: QV1XQVQ1VQ; 1,2,3-Propanetricarboxylic acid, 2-hydroxy- (9CI); NSC30279; .beta.-Hydroxytricarballylic acid; NSC 626579; FLC; NCI60_022579; LS-3185; 2-hydroxy-1,2,3-propanetricarboxylic acid; Caswell No. 221C; EINECS 201-069-1; 43136-35-2; 251275_SIAL; 38730_FLUKA; C4540_SIGMA; FEMA Number 2306; 4-03-00-01272 (Beilstein Handbook Reference); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; Citric acid anhydrous (JAN); C00158; 12262-73-6; 240621_ALDRICH; AIDS017733; MLS001066346; Kyselina 2-hydroxy-1,2,3-propantrikarbonova [Czech]; 2-Hydroxypropanetricarboxylic acid; CCRIS 3292; KBio3_002740; NSC626579; D00037; SBB008922; Kyselina citronova [Czech]; Aciletten; NSC 30279; Anhydrous citric acid (JP15); 46933_SUPELCO; NCIOpen2_004062; Citric acid solution; CHEBI:30769; Citro; BSPBio_003240; NCIStruc1_000057; Uro-trainer; Citric acid, anhydrous (USP); W230618_ALDRICH; Citric acid [USAN:JAN]; H3cit; Chemfill; Hydrocerol A; Suby G; Oprea1_502996; Citric acid, anhydrous; SMR000471840; Citric acid anhydrous; Spectrum3_001850 | C6H8O7 | 192.12 | C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| TCMBANKIN033956 | insaconitine | ||||
| TCMBANKIN034628 | clerosteorl | ||||
| TCMBANKIN035979 | N-(1',4'-dihydroxy-1',2',3',4'-tetrahydronaphthyl)-propyl-N-diphenylmethyl-N-3,3-dimethylbutylamine | C7H6BF3O2 | 189.93 | ||
| TCMBANKIN036795 | punicalagin | punicalagin | C48H28O30 | 1085 | c1(O[H])c(O[H])c(c2c3c(c4c(O[H])c2O[H])c(c(c(c5c([H])c(C(=O)OC([H])([H])[C@]6([H])[C@@]([H])(OC7=O)[C@@]8([H])[C@@]([H])(OC(=O)c(c([H])c(O[H])c(O[H])c9O[H])c9c(c(C(=O)O8)c([H])c%10O[H])c(O[H])c%10O[H] )[C@]([H])(O[H])O6)c(O[H])c(O[H])c5O[H])c(O[H])c%11O[H])C(=O)O4)c%11OC3=O)c7c([H])c1O[H] |
| TCMBANKIN036802 | ellagic acid | 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione; 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone; CE0034; 5-19-07-00108 (Beilstein Handbook Reference); AS-12615; ellagic acid ; LTK-20; 133039-73-3; ellagicacid; NE58729; 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione; AIDS002688; Spectrum3_001535; SBB006501; 4,4′,5,5′,6,6′-Hexahydroxydiphenic acid 2,6,2′,6′-dilactone; Llagic acid; BRN 0047549; 2,6,2',6'-dilactone hydrate; 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione; KBio2_004242; Polyphenolic; NCGC00094975-01; Eleagic acid; MFCD00149494; MolPort-000-705-556; 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; EINECS 207-508-3; NCGC00017245-01; NCI60_003869; Ellagsaeure; Ellagic Acid, Dihydrate; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; KBio3_002450; MLS-0066664.0001; KBio2_006810; SCHEMBL2639621; Ellagic acid hydrate, 97%, may cont. up to 12% water; Ellagic acid dihydrate; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione dihydrate; Spectrum2_000905; Gallogen (astringent); TNP00132; KBioSS_001674; MLS000069632; SMP1_000111; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-; BSPBio_002950; Oprea1_032884; C.I. 75270; NSC656272; SPBio_000750; NSC 656272; BCBcMAP01_000154; Elagostasine; I14-61927; NSC 407286; BB_NC-0491; C10788; C.I. 55005; 2,3,7,8-Tetrahydroxy[1]benzopyrano-[5,4,3-cde][1]benzopyran-5,10-dione; Spectrum_001194; Gallogen, astringent; SMR000058244; CHEBI:4775; SPECTRUM1502245; KBio2_001674; KBioGR_001080; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione dihydrate; Acido elagico [INN-Spanish]; BG00667714; 476-66-4; Benzoaric acid; AK186482; SDCCGMLS-0066664.P001; Z1551861526; CCRIS 774; Gallogen (VAN); NSC407286; Ellagic acid [DCF:INN]; [1,1'-Biphenyl]-2,2'-dicarboxylic acid, 4,4',5,5',6,6'-hexahydroxy-, di-.delta.-lactone; CCG-208140; NCGC00094975-02; 4,4′,5,5′,6,6′-Hexahydroxydiphenic Acid 2,6,2′,6′-Dilactone; Spectrum4_000750; Alizarine Yellow; 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0?,??.0??,??]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione dihydrate; Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone; AIDS-002688; AKOS025310087; Acidum ellagicum [INN-Latin]; Lagistase; ZINC00058174; C14H6O8.2H2O; Spectrum5_000959; E2250_SIGMA; Acide ellagique [INN-French]; NCGC00094975-03; 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione dihydrate; Ellagic acid | C14H6O8 | 302.193 | c1(O[H])c([H])c2c(c(c(C(=O)O3)c([H])c(O[H])c4O[H])c4OC2=O)c3c1O[H] |
| 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] |
| TCMBANKIN040441 | Quisqualic acid | CTK4J6551; C08296; 2-amino-3-(3,5-dioxo[1,2,4]oxadiazolidin-2-yl)propionic acid; LS-175398; ACM52809071; ASNFTDCKZKHJSW-REOHCLBHSA-N; NCGC00024489-01; 1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (aS)-; 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine; (2S)-2-amino-3-(3,5-diketo-1,2,4-oxadiazolidin-2-yl)propionic acid; HMS3263O19; AK668624; [3H]quisqualate; 8OC22C1B99; NCGC00024489-03; 1p1o; C5H7N3O5; SCHEMBL136819; V0329; SR-01000075471-1; 52284-24-9; (+)-Quisqualic acid; Tox21_501039; GTPL1372; AKOS024456826; SR-01000597681-1; Q2128_SIGMA; (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid; QUISQUALIC ACID; 809Q071; SR-01000075471-5; SR-01000597681; (S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid; EU-0101039; AC1Q6GK0; 1,2,4-Oxadiazolidine-2-propanoic acid, alpha-amino-3,5-dioxo-, (S)-; NCGC00024489-04; KB-60323; CHEMBL279956; L(+)-alpha-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid; ST50825297; AC1ODZB5; L-Quisqualic acid; FCH4012693; Quisqualic acid, powder; 2jbk; BDBM50164445; SCHEMBL13319908; PDSP1_000814; MLS001074741; Q 2128; CCG-205116; PDSP2_000801; quisqualicacid; DB02999; D06DUE; 1mm6; D0W6JO; LP01039; NCGC00024489-05; HMS2233G05; (2S)-2-amino-3-(3,5-dioxo(1,2,4-oxadiazolidin-2-yl))propanoic acid; Lopac0_001039; ZINC897456; CHEMBL168279; beta-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine; QC-11635; 2or4; GTPL1370; 2-Amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid(Quisqualic acid); MFCD00069337; 52809-07-1; Quisqualate, L; NCGC00024489-02; QUS; ()-Quisqualic Acid; AC1L23YS; UNII-8OC22C1B99; 51821-59-1; SMR000471890; BDBM17660; C-52964; Quisqualate; (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID; MolPort-003-939-212; (L)-(+)-?-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid; Quisqualic acid; Tocris-0188; CHEBI:8734; BN0434; SR-01000075471; 1mm7; NCGC00261724-01; FT-0604435 | 189.13 | ||
| TCMBANKIN041230 | Punicalin | 65995-64-4; ZINC169731136; NSC 636591; punicalin ; punicalin; D-Glucose, cyclic 4,6-(2,2'-(5,10-dihydro-2,3,7,8-tetrahydroxy-5,10-dioxo(1)benzopyrano(5,4,3-cde)(1)benzopyran-1,6-diyl)bis(3,4,5-trihydroxybenzoate)), (4(S,S))- | 782.53 | ||
| 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 |
| TCMBANKIN041952 | yibeinoside A | yibeinoside a | C33H53NO7 | 575.78 | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CC(CC6)OC7C(C(C(C(O7)CO)O)O)O)C)C |
| TCMBANKIN042281 | 3,3'-Di-O-methylellagic acid | 2239-88-5; 124590-36-9; ZINC01280637; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,7-dihydroxy-3,8-dimethoxy-; Oprea1_264874; 3,3'-di-O-methylellagic acid; 3,3'-di-o-methylellagicacid | 330.25 | ||
| TCMBANKIN043888 | pedunculagin | beta-Pedunculagin; 118014-30-5; VA85X55GDI; beta-D-Glucopyranose, cyclic 2,3:4,6-bis((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate); 4-O,6-O-[(4,4',5,5',6,6'-Hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-2-O,3-O-[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-beta-D-glucopyranose; UNII-VA85X55GDI | C34H24O22 | 785 | c1(O[H])c([H])c(C(OC([H])([H])[C@@]([H])(O[C@@]([H])(O[H])[C@]([H])(OC(=O)c2c(c3c(C(=O)O4)c([H])c(O[H])c(O[H])c3O[H])c(O[H])c(O[H])c(O[H])c2[H])[C@@]45[H])[C@@]5([H])OC(=O)c(c([H])c(O[H])c(O[H])c6O[H] )c67)=O)c7c(O[H])c1O[H] |
| TCMBANKIN046023 | 7alpha,21S,25-Trihydroxy-3beta-acetoxy-21S,23R-epoxy-9(11)-en-dammarane | [(3S,8S,10S)-7-hydroxy-17-[(2S,5R)-2-hydroxy-5-(2-hydroxy-2-methylpropyl)oxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate; AC1NT14F; 7α,21s,25-trihydroxy-3β-acetoxy-21s,23r-epoxy-9(11)-en-dammarane; 7alpha,21s,25-trihydroxy-3beta-acetoxy-21s,23r-epoxy-9(11)-en-dammarane | C32H52O6 | 532.84 | C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(=C([H])C([H])([H])[C@]([H])([C@@]([H])([C@]2([H])[C@@]([H])(O[H])O[C@@]([H])(C([H])([H])C(O[H])(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])C3([H] )[H])[C@@]34C([H])([H])[H])[C@@]4(C([H])([H])[H])[C@]([H])(O[H])C5([H])[H])[C@@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])OC(=O)C([H])([H])[H] |
| TCMBANKIN046959 | Potassium quisqualate | ||||
| TCMBANKIN047621 | casuariin | BDBM50269546; D0I1UF; CHEMBL509562; SCHEMBL1883046; casuariin ; Casuariin | C35H26O21 | 783 | c1(O[H])c(c([H])c2c(c3c(C(=O)O[C@]([H])([C@]([H])(C([H])([H])OC2=O)O[H])[C@]4([H])C([H])([H])C(=O)c5c(c6c(C(=O)O[C@@]47[H])c(c(O[H])c(O[H])c6O[H])[C@]7(O[H])[H])c(O[H])c(O[H])c(O[H])c5[H])c([H])c(O[H] )c(O[H])c3O[H])c1O[H])O[H] |
| TCMBANKIN049356 | eugeniin | Eugeniin; C10224; eugeniin ; MEGxp0_001162; ACon1_001321; 58970-75-5; Tellimagrandin II | C41H30O26 | 939 | c1([H])c(C(O[C@]2([H])[C@@]([H])(OC(c3c([H])c(O[H])c(O[H])c(O[H])c3[H])=O)[C@]([H])(OC(=O)c(c([H])c4O[H])c([H])c(O[H])c4O[H])O[C@]([H])(C([H])([H])OC(=O)c(c([H])c(O[H])c(O[H])c5O[H])c5c(c(O[H])c(O[H]) c(O[H])c6[H])c6C(=O)O7)[C@]27[H])=O)c([H])c(O[H])c(O[H])c1O[H] |
| TCMBANKIN057142 | Ruvoside | UN2330; 1120-21-4; CAS-1120-21-4; LTBB002321; LS-158394; UN 2330; UNII-JV0QT00NUE; DSSTox_CID_1689; AI3-21126; U203; ACMC-209t6p; MolPort-001-783-218; Jsp000912; CCRIS 3796; Undecane [UN2330] [Flammable liquid]; EC 214-300-6; UND; undecyl group; 4-01-00-00487 (Beilstein Handbook Reference); KSC176C3J; Undecane; ANW-42095; 175476-97-8; DSSTox_RID_76285; AC1L23G2; n-Undecane, 99% 50g; Undekan; Undecane, 99%; QSPL 058; 17398EC4-D16F-42F6-8A27-60F8EC075469; BRN 1697099; Undecane, >=99%; TR-002350; InChI=1/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H; UNDECAN-2-YL; MCULE-7319807036; NSC 66159; EINECS 214-300-6; J-002689; RSJKGSCJYJTIGS-UHFFFAOYSA-N; NCGC00254001-01; DTXSID9021689; n-C11H24; U0002; S0283; undecan; DSSTox_GSID_21689; SC-79237; CHEMBL132474; Undecane, analytical standard; JV0QT00NUE; MFCD00008959; Hendekan; HSDB 5791; CH3-[CH2]9-CH3; NCGC00247896-01; C-28174; CC-33184; N-UNDECANE; AKOS005145675; FT-0633353; AN-20593; 61193-21-3; 55101-35-4; KS-00000WJI; NSC66159; NSC-66159; I14-60624; ZINC1693211; Hendecane; Decane, methyl-; n-Hendecane; LMFA11000591; CHEBI:46342; TRA0090240; Undecane [UN2330] [Flammable liquid]; DB-041031; CTK0H6134; RTR-002350; Tox21_300076;LMFA11000001; Tridekan; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; CH3-[CH2]11-CH3; 629-50-5; 91490_FLUKA; 442713_SUPELCO; HSDB 5727; n-Tridecane; EINECS 211-093-4; NSC66205; T57401_ALDRICH; Tridecane; CHEBI:35998; NSC 66205; TRIDECANE, N-; C13834;Tridekan; UNII-114P5I43UJ component IIYFAKIEWZDVMP-UHFFFAOYSA-N; MCULE-7749861366; U393; DB-054344; Tridecane_GurudeebanSatyavani; ACMC-209t6w; C13H28; C13834; N-TRIDECANE; 757DB156-6441-49B0-A824-1532074AC0F6; NCGC00257175-01; IIYFAKIEWZDVMP-UHFFFAOYSA-N; Tridecane, >=99%; TL8004327; MolPort-003-933-018; LS-157141; AN-22061; STL301147; CAS-629-50-5; tridecan; LMFA11000001; SC-74775; AC1L1ZHL; LTBB002872; DSSTox_CID_7266; C-28190; InChI=1/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H; Tridecane, 99.0%; TRA0008560; I14-59696; KSC353S8D; UNII-FW7807707B component IIYFAKIEWZDVMP-UHFFFAOYSA-N; S0285; Dodecane, methyl-; AKOS016011009; FT-0632663; Tridecane, analytical standard; Alkanes, C12-14; MFCD00008979; UNII-A3LZF0L939; DSSTox_GSID_27266; RT-000404; CHEMBL135694; tridecyl group; KS-00000XDT; ST24031950; HSDB 5727; EINECS 211-093-4; AC1Q28TY; DSSTox_RID_78377; FT-0082500; DTXSID6027266; CC-33178; A3LZF0L939; Tox21_303043; NSC-66205; Tridecane; CH3-[CH2]11-CH3; CTK2F3981; TRD; EC 211-093-4; NSC66205; AK115985; ANW-42102; 629-50-5; CHEBI:35998; NSC 66205; TRIDECANE, N-; ZINC1693738;n-tridecane;TRD | C30H46O9 | [C@]1([H])(OC([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])[C@@](C([H])([H])O[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]([H])( C4=C([H])C(=O)OC4([H])[H])C([H])([H])C5([H])[H])[C@]56O[H])[C@@]6([H])C([H])([H])C3([H])[H])C([H])([H])C2([H])[H])[C@@]1([H])O[H] | |
| TCMBANKIN057915 | FUM | U-1149; 110-17-8; 2-Butenedioic acid (E)-; 4-02-00-02202 (Beilstein Handbook Reference); FC 33; Kyselina fumarova; maleic acid; Fumarsaeure; 2-Butenedioic acid (2E)-; 240745_ALDRICH; 2-Butenedioic acid, (E)-; WLN: QV1U1VQ-T; Lichenic acid; LS-500; NSC2752; AIDS-008707; CCRIS 1039; 03761_FLUKA; Lichenic acid (VAN); Caswell No. 465E; W248800_ALDRICH; 2-butenedioic acid, (2E)-; (2E)-2-butenedioic acid; 6915-18-0; Boletic acid; EPA Pesticide Chemical Code 051201; FEMA No. 2488; HSDB 710; Fumaric acid (NF); NCIOpen2_003792; Tumaric acid; 1,2-Ethenedicarboxylic acid, trans-; CHEBI:18012; trans-Butenedioic acid; trans-1,2-Ethylenedicarboxylic acid; FC 33 (acid); fumaric acid; 2-Butenedioic acid; C00122; MALEATE; Allomalenic acid; 110-16-7; AIDS008707; trans-2-Butenedioic acid; AI3-24236; 623158-97-4; But-2-enedioic acid; D02308; NCI60_002239; 1,2-Ethylenedicarboxylic acid, (E); FEMA Number 2488; F8509_SIGMA; NCGC00091192-01; NSC-2752; trans-but-2-enedioic acid; Butenedioic acid, (E)-; Usaf ek-p-583; E-2-Butenedioic acid; BRN 0605763; EINECS 203-743-0; (2E)-but-2-enedioic acid; 2-Butenedioic acid (2E)- (9CI); (E)-2-butenedioic acid; nchembio.2007.47-comp1; Kyselina fumarova [Czech]; BUTENE-1,4-DIOIC ACID; Allomaleic acid; NCIOpen2_004870; Fumaric acid (8CI); CHEBI:22958; cis-butenedioic acid; 2-(E)-Butenedioic acid; MAE; fumaric acid; maiyenic acid; Maleic anhydride, mono(castor oil) ester; Maleic acid [NA2215] [Corrosive]; H2male; AIDS-025527; 2-Butenedioic acid (2Z)-, monocastor oil alkyl esters; InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1; CCRIS 1115; 2-Butenedioic acid, (Z)-; 2-Butenedioic acid (Z)- (9CI); 44742-89-4; NCGC00090970-01; (Z)-butenedioic acid; 2-Butenedioic acid (Z)-; 2-butenedioic acid, (2Z)-; Kyselina maleinova [Czech]; (Z)-2-BUTENEDIOIC ACID; cis-but-2-enedioic acid; 2-Butenedioic acid (2Z)- (9CI); ST5213949; WLN: QV1U1VQ-C; Maleic acid (8CI); NSC 25940; 1,2-Ethylenedicarboxylic acid, (Z); 2-Butenedioic acid (2Z)-; (2Z)-but-2-enedioic acid; AI3-01002; 4-02-00-02199 (Beilstein Handbook Reference); 63189_FLUKA; CHEBI:18300; Malezid CM; NSC25940; NA2215; 10237-70-4; AIDS025527; cis-2-Butenedioic acid; EINECS 203-742-5; Maleinic acid; C01384; Malenic acid; HSDB 666; Scotchbond Multipurpose Etchant; BRN 0605762; M0375_SIAL; cis-1,2-Ethylenedicarboxylic acid; Maleic acid [NA2215] [Corrosive]; Butenedioic acid, (Z)-; 68307-91-5; but-2-enoic acid; methanoic acid; A802157; fumaricacid; 2-butenoic acid; formic acid | C4H4O4 | 116.07 | C(=CC(=O)O)C(=O)O |
| 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 |
| TCMBANKIN058004 | trigonelline | Prestwick_70; N-Methylnicotinic acid betaine hydrochloride; 1-methyl-3-pyridin-1-iumcarboxylate hydrochloride; MFCD00077250; SCHEMBL468365; A833196; trigonelline ; trigonelline HCl; 1-methylpyridin-1-ium-3-carboxylate hydrochloride; AC1O4WFS; 1-Methylpyridinium-3-carboxylate hydrochloride; T-6500; CHEMBL489961; trigonellin; gynesine; trigonelline | C7H7NO2 | 137.14 g/mol | C[N+]1=CC=CC(=C1)C(=O)[O-] |
| TCMBANKIN058060 | gallic acid | Spectrum4_001544; NSC-755825; 4CN-0954; KBio2_000822; NCGC00260064-01; KBio3_001168; CHEBI:30778; GTPL5549; D0Y3TZ; NCGC00091125-01; 632XD903SP; ARONIS23903; Spectrum5_000108; Jsp002851; T7419; Gallic acid, puriss., 98.0%; I14-9302; NCGC00091125-07; ZINC1504; 3,4,5-trihydroxybenzoic acid (ACD/Name 4.0); KBioGR_002008; AK-65266; pyrogallol-5-carboxylate; BRD-K77345217-001-01-9; Gallicum acidum; LNTHITQWFMADLM-UHFFFAOYSA-N; KBio2_003390; EBD679760; NCGC00091125-04; AJ-08037; Gallic acid; ZB000350; BG01502846; A808977; (?)-Gallic acid; WLN: QVR CQ DQ EQ; N1830; AC1NEVA5; SBB008781; 149-91-7; GALLIC ACID ANHYDROUS; Gallic acid [NF]; KS-00000IWM; CS-8191; LS-870; C01424; KS-00004784; CHEBI:16918; SPECTRUM210369; c0006; UNII-632XD903SP; ACMC-20aku5; CTK0H5618; BIDD:ER0374; AC1Q732X; NCGC00091125-02; F1908-0156; Oprea1_087792; CG0029; DSSTox_RID_75711; Kyselina 3,4,5-trihydroxybenzoova; 3-10-00-02070 (Beilstein Handbook Reference); RP23206; NSC36997; Gallic acid, certified reference material, TraceCERT(R); AI3-16412; CCG-38670; STK298718; Tox21_202515; bmse000389; AN-15162; AB00052697_03; SR-05000001537-2; NSC-36997; 1886-EP2374526A1; 5-Carboxybenzene-1,2,3-triol; KBio2_005958; SR-05000001537-3; NCGC00091125-05; KBio1_001347; Kyselina gallova [Czech]; KSC175M1R; KBioSS_000822; HMS2091A07; gallate; CPD-183; Spectrum3_000254; 78563C7D-0E2D-4766-A8EA-670A03C78FCF; gallic acid ; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; GDE; SBI-0052184.P002; EINECS 205-749-9; CAS-149-91-7; Kyselina gallova; J3.617.291F; Benzoic acid, 3,4,5-trihydroxy-; BG00601456; DivK1c_006403; Benzoic acid,4,5-trihydroxy-; gallic acid for microelectronic industrial; BRN 2050274; Gallic acid tech.; NCGC00091125-03; Kyselina 3,4,5-trihydroxybenzoova [Czech]; Gallic acid, 97.5-102.5% (titration); gallicacid; 3,4,5-Trihydroxybenzoic acid, anhydrous; NSC674319; TR-020762; 3,4,5-tris(oxidanyl)benzoate; MCULE-1552954312; Gallic acid polymer; Pharmakon1600-00210369; BSPBio_001668; Tox21_111089; HMS1923K07; CCRIS 5523; BDBM50085536; NSC-674319; ST2404570; BB_SC-2795; AC-1206; 3,4,5-trihydroxy-Benzoic acid; Gallic Acid Hydrate; AC1L1934; RTR-020762; GALOP; Q-201146; SR-05000001537-1; DSSTox_CID_650; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; 3,4,5-Trihydroxybenzoic acid ion; GALLICACID; s4603; CHEMBL288114; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; NSC755825; G0011; AB1002218; Gallic Acid, F; MolPort-000-881-260; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; PS-8710; SC-46383; FT-0626592; BBL009937; MFCD00002510; SpecPlus_000307; 3,4,5-trihydroxy-Benzoate; SCHEMBL15012; DSSTox_GSID_20650; ST083487; SR-05000001537; 3,5-Trihydroxybenzoic acid; 3,4,5-Trihydroxybenzoate, X; Tox21_111089_1; Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trih; 3,4,5-Trihydroxybenzoic acid;; Z966690556; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; BC200279; Spectrum2_000399; HY-N0523; HSDB 2117; AC1Q732Y; DTXSID0020650; 5-Trihydroxybenzoic acid; AKOS000119625; NSC 20103; Gallic acid, tech; 138-57-8; NSC-20103; AIDS-001349; gallate; CPD-183; Spectrum3_000254; KBio2_000822; Gallic acid monohydrate; AIDS-059239; KBio3_001168; Gallic acid, tech.; NSC20103; 3,4,5-Trihydroxybenzoic acid; InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12; C01424; CHEBI:30778; EINECS 205-749-9; CHEBI:16918; NCGC00091125-01; c0006; J3.617.291F; SPECTRUM210369; Benzoic acid, 3,4,5-trihydroxy-; DivK1c_006403; NSC 674319; SPBio_000617; LNTHITQWFMADLM-UHFFFAOYSA-M; Spectrum_000342; Spectrum5_000108; NCGC00091125-02; BRN 2050274; Oprea1_087792; NCGC00091125-03; 3-10-00-02070 (Beilstein Handbook Reference); SpecPlus_000307; Kyselina 3,4,5-trihydroxybenzoova [Czech]; KBioGR_002008; AI3-16412; NSC674319; pyrogallol-5-carboxylate; 3,4,5-tris(oxidanyl)benzoate; AIDS001349; KBio2_003390; Gallic acid polymer; 1886-EP2374526A1; ZB000350; Gallic acid; BSPBio_001668; KBio2_005958; AIDS059239; CCRIS 5523; 3,4,5-Trihydroxybenzoate; SDCCGMLS-0066503.P001; Pyrogallol-5-carboxylic acid; A808977; 27645_RIEDEL; KBio1_001347; 398225_SIAL; Kyselina gallova [Czech]; WLN: QVR CQ DQ EQ; Spectrum2_000399; HSDB 2117; G7384_SIGMA; KBioSS_000822; GALOP; AC1NEVA5; SBB008781; 3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98.0% min. 100g; NSC 20103; 3,4,5-Trihydroxybenzoic acid ion; 149-91-7; 3,4,5-trihydroxybenzoic acid; Galllic acid | C7H6O5 | 170.12 | C1=C(C=C(C(=C1O)O)O)C(=O)O |
| TCMBANKIN058063 | 6-O-Galloylglucose | [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 3,4,5-trihydroxybenzoate; 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexyl] ester; 3,4,5-trihydroxybenzoic acid [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] ester; 13186-19-1; D-Glucose, 6-(3,4,5-trihydroxybenzoate); D-Glucose, 6-gallate; 6-O-Galloyl-D-glucose; [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] 3,4,5-trihydroxybenzoate; 6-o-galloyl-glucose; 6-o-galloyl-d-glucose; D-Glucose,6-(3,4,5-trihydroxybenzoate); 13186-19-1; 6-O-Galloylglucose; CHEMBL1221848; D-Glucose, 6-(3,4,5-trihydroxybenzoate); AC1Q6A7B; 6-O-Galloyl-glucose; CTK4B7571; AC1L2UJB; SCHEMBL3228891; 6-O-Galloyl-D-glucose; (2R,3R,4S,5R)-2,3,4,5-TETRAHYDROXY-6-OXOHEXYL 3,4,5-TRIHYDROXYBENZOATE | C13H16O10 | 332.26 g/mol | C1=C(C=C(C(=C1O)O)O)C(=O)OCC(C(C(C(C=O)O)O)O)O |
| TCMBANKIN058293 | BOX | FEMA No. 2131; Benzenemethanoic acid; Retardex; Caswell No. 081; LS-280; Benzeneformic acid; benzoic acid; 1863-63-4 (AMMONIUM SALT); E 210; 65-85-0; 109479_SIAL; benzenecarboxylic acid; Benzoic acid (TN); NSC7918 (AMMONIUM SALT); AI3-03710; WLN: QVR; BEZ; 582-25-2 (POTASSIUM SALT); Kyselina benzoova; 33047_RIEDEL; C00180; Flowers of benzoin; HSDB 704; W213128_ALDRICH; ST5213864; nchembio.2007.22-comp2; C03096; D00038; B8027_SIGMA; Kyselina benzoova [Czech]; InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9; EPA Pesticide Chemical Code 009101; Benzoesaeure [German]; Benzoesaeure; 18102_RIEDEL; Benzoic acid [USAN:JAN]; W213101_ALDRICH; 8013-63-6; Dracylic acid; Unisept BZA; AIDS-018010; phenylformic acid; Benzoic acid (JP15/USP); 47849_SUPELCO; Retarder BA; Aromatic hydroxy acid; B2670_SIGMA; CHEBI:30746; B2920_SIGMA; Mettler Toledo Calibration substance ME 18555, Benzoic acid; CCRIS 1893; Benzoesaeure GV; Acido benzoico [Italian]; Benzoic acid (natural); NSC149; Benzoic acid-ring-UL-14C; Benzoesaeure GK; Acide benzoique; Flowers of benjamin; Benzoic acid, tech.; AI3-0310; HA 1 (acid); Salvo liquid; Acide benzoique [French]; 12353_FLUKA; Tenn-Plas; Carboxybenzene; 242381_SIAL; Salvo, liquid; AIDS018010; Phenylcarboxylic acid; NCGC00091886-01; Solvo powder; 427608_ALDRICH; Benzoic acid (7CI,8CI,9CI); 33045_RIEDEL; HA 1; 73983_FLUKA; Solvo, powder; Benzoate (VAN); NSC 149; EINECS 200-618-2;benzenecarboxylic acid | C7H6O2 | 122.12 | C1=CC=C(C=C1)C(=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 |
| TCMBANKIN058565 | vescalagin | vescalagin;castalagin;castalagin | C41H26O26 | 934.6 g/mol | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
| TCMBANKIN058611 | Cyclohexyl isothiocyanate | isothiocyanato-Cyclohexane | C7H11NS | 141.24 g/mol | C1CCC(CC1)N=C=S |
| TCMBANKIN058924 | brevifolin | brevifolin ; BSPBio_001701; Brevifolin; Brevifolin (VAN); AQ-358/42007313; SPBio_000566; 4,6-Dimethoxy-2-hydroxyacetophenone; NSC17392; SDCCGMLS-0066937.P001; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one; 477-94-1; 90-24-4; 2'-Hydroxy-4',6'-dimethoxyacetophenone; KBio2_006193; Spectrum2_000463; AIDS-027830; Brevifolin[Geranium]; ST5308751; Xanthoxyline; C10726; Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI); KBioGR_002137; CTK8I8351; KBio2_003625; AI3-26010; SpecPlus_000713; KBio1_001753; Phloracetophenone dimethyl ether; DivK1c_006809; 1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone; AIDS027830; 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone; Spectrum5_000237; Spectrum_000577; 2-Hydroxy-4,6-dimethoxyacetophenone; KBioSS_001057; Brevifolin (Zanthoxylum); SCHEMBL10339420; Phloroacetophenone 2,4-dimethyl ether; Spectrum4_001499; NSC 17392; KBio3_001201; ZINC00157077; Acetophenone der.; SPECTRUM200441; Acetophenone, 2'-hydroxy-4',6'-dimethoxy-; EINECS 201-978-3; Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-; Xanthoxylin; 630586_ALDRICH; 1,2-Dihydro-7,8,9-trihydroxycyclopenta[c][2]benzopyran-3,5-dione; 2,4-Di-O-methylphloroacetophenone; 2′-Hydroxy-4′,6′-dimethoxyacetophenone; NCGC00095824-01; Spectrum3_000181; KBio2_001057;xanthoxylin;RTR-030636; SDCCGMLS-0066937.P001; AKOS015856339; FT-0612544; SpecPlus_000713; AI3-26010; KB-146755; ACMC-209r5b; 1-(2-hydroxy-4,6-dimethoxy-phenyl)ethanone; 4, 6-Dimethoxy-2-hydroxyacetophenone; A-8021; 4',6'-dimethoxy-2'-hydroxyacetophenone; 2-Hydroxyl-4,6-dimethoxy-acetophenone; NCGC00095824-02; Spectrum4_001499; 1-Acetyl-2-hydroxy-4,6-dimethoxybenzene; MCULE-4292389127; D2683; ST24037116; 2,4-Di-O-methylphloroacetophenone; Spectrum3_000181; NCGC00095824-01; KBio2_001057; (2-hydroxy-4,6-dimethoxy-phenyl)-ethanone; SR-05000002434; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethan-1-one; Spectrum2_000463; KBio2_006193; ST098711; Xanthoxyline; KS-000012GK; C10726; FCH1116672; 4CN-0948; ZB006545; ZINC157077; Spectrum5_000237; OR22374; NSC 17392; CHEBI:10070; KBio3_001201; Ethanone, 1-(2-hydroxy-4,6-dimethoxyphenyl)-; AJ-14872; 2-Hydroxy-4, 6-dimethoxyacetophenone; BSPBio_001701; AB1004782; Brevifolin; SR-05000002434-1; FBUBVLUPUDBFME-UHFFFAOYSA-N; Brevifolin (VAN); 4,6-Dimethoxy-2-hydroxyacetophenone; CTK3J0177; 2'-Hydroxy-4',6'-dimethoxyacetophenone; TRA0050729; AK135500; MFCD00017243; NSC-17392; I14-19971; KBioGR_002137; DTXSID10237981; KBio2_003625; AC1Q5D4Z; KBio1_001753; Acetophenone,6'-dimethoxy-; DivK1c_006809; KBioSS_001057; Brevifolin (Zanthoxylum); BRD-K12260308-001-02-6; SPECTRUM200441; Acetophenone der.; 2-Acetyl-3,5-dimethoxyphenol; SMR001306755; Xanthoxylin; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone #; AQ-358/42007313; SPBio_000566; NSC17392; Brevifolin; 4',6'-Dimethoxy-2'-hydroxyacetophenone; 90-24-4; 2'-hyroxy-4',6'-dimethoxyacetophenone; SBB071509; Acetophenone, 2'-hydroxy-4',6'-dimethoxy- (8CI); SCHEMBL44708; AC1L25UT; MLS002207182; ANW-39453; 1-(2-hydroxy-4,6-dimethoxyphenyl)-ethanone; Phloracetophenone dimethyl ether; UNII-Z8RSY5TZPA; ZX-AT021196; Spectrum_000577; 2-Hydroxy-4,6-dimethoxyacetophenone; 2''-HYDROXY-4'',6''-DIMETHOXYACETOPHENONE; AX8000172; Phloroacetophenone 2,4-dimethyl ether; CHEMBL450288; 6-Methoxypaeonol; SC-69796; 2'-Hydroxy-4',6'-dimethoxyacetophenone, 97%; Acetophenone, 2'-hydroxy-4',6'-dimethoxy-; EINECS 201-978-3; Z8RSY5TZPA; 1-(2-Hydroxy-4,6-dimethoxyphenyl)ethanone; CCG-38702; MolPort-001-762-282; 2-hydroxy-4,6-dimethoxyacetophenone; TR-030636; brevifolin(van); 2'-Hydroxy-4',6'-dimethoxy-Acetophenone | C10H12O4 | 196.2 | CC(=O)C1=C(C=C(C=C1OC)OC)O |
| TCMBANKIN059254 | Pentadecane , 2, 6 , 10 , 14-tetramethyl | 2,6,10,14-tetramethylpentadecane;pristane;Norphytane;2,6,10,14-tetramethyl pentadecane; 2,6,10,14-tetramethyl-pentadecane; Pentadecane,2,6,10,14-tetramethyl;Pentadecane,2,6,10,14-tetramethyl; pentadecanoic acid,14-methyl-,methyl ester; 2,6,10,14-tetramethyl-pentadecane | C19H40 | 268.5 g/mol | CC(C)CCCC(C)CCCC(C)CCCC(C)C |
| TCMBANKIN059319 | Heptane, 2,2,4,6,6-pentamethyl- | 2,2,4,6,6- pentamethyl- Heptane | C12H26 | 170.33 g/mol | CC(CC(C)(C)C)CC(C)(C)C |
| TCMBANKIN059532 | (1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one | C10H16O | 152.23 g/mol | CC1(C2CCC1(C(=O)C2)C)C | |
| TCMBANKIN059921 | o- Cymene | C10H14 | 134.22 g/mol | CC1=CC=CC=C1C(C)C | |
| TCMBANKIN059951 | 1,7-Dimethylnaphthalene | C12H12 | 156.22 g/mol | CC1=CC2=C(C=CC=C2C=C1)C | |
| TCMBANKIN059955 | 2-methylnaphthalene | C11H10 | 142.2g/mol | CC1=CC2=CC=CC=C2C=C1 | |
| TCMBANKIN059974 | alpha-phellandrene | C10H16 | 136.23 | CC1=CCC(C=C1)C(C)C | |
| TCMBANKIN060030 | (4S,5S)-germacrone-4,5-epode | C15H22O2 | 234.33 g/mol | CC1=CCCC2(C(O2)CC(=C(C)C)C(=O)C1)C | |
| TCMBANKIN060428 | Peimisine | C27H41NO3 | 427.6 g/mol | CC1CC2C(C(C3(O2)CCC4C5CC(=O)C6CC(CCC6(C5CC4=C3C)C)O)C)NC1 | |
| TCMBANKIN060580 | Sipeimine | C27H43NO3 | 429.6 g/mol | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O | |
| TCMBANKIN060665 | phytane;Phytan;Hexadecane , 2, 6 , 10, 14-tetramethyl-;2,6,10,14-Tetramethyl-Hexadecane;2,6,10,14-tetramethylhexadecane | C20H42 | 282.5 g/mol | CCC(C)CCCC(C)CCCC(C)CCCC(C)C | |
| TCMBANKIN060679 | stigmasterol | C29H48O | 412.7 g/mol | CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C | |
| TCMBANKIN060775 | Undecane,3,8-dimethyl | C13H28 | 184.36 g/mol | CCCC(C)CCCCC(C)CC | |
| TCMBANKIN060873 | arachidonic acid | C20H32O2 | 304.5 g/mol | CCCCCC=CCC=CCC=CCC=CCCCC(=O)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060948 | 3- methyl-Undecane | C14H30 | 198.39 g/mol | CCCCCCCCC(C)CC(C)C | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=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 | |
| TCMBANKIN061016 | tridecane | C13H28 | 184.36 g/mol | CCCCCCCCCCCCC | |
| TCMBANKIN061024 | tetradecane | C14H28 | 196.39 g/mol | CCCCCCCCCCCCC=C | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061030 | Methyl myristate | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCC(=O)OC | |
| TCMBANKIN061038 | Gaidic acid | C16H30O2 | 254.41 g/mol | CCCCCCCCCCCCCC=CC(=O)O | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061072 | Glycerol alpha-Monopalmitate | C19H38O4 | 330.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC(CO)O | |
| TCMBANKIN061085 | n-heptadecane;heptadecane;Heptadekan | C17H36 | 240.5 g/mol | CCCCCCCCCCCCCCCCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061118 | behenic acid | C22H44O2 | 340.6 g/mol | CCCCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061145 | Tetratriacontane | C34H70 | 478.92 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061254 | ethyl gallate;gallic acid ethyl ester;Progallin A | C9H10O5 | 198.17 g/mol | CCOC(=O)C1=CC(=C(C(=C1)O)O)O | |
| TCMBANKIN061405 | diethyl phthalate | AN-24076; ST50406385; DSSTox_CID_1780; Anozol; 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester; WLN: 2OVR BVO2; DTXSID7021780; methyl 2-(methoxycarbonyl)benzoate; diethyl benzene-1,2-dicarboxylate; ST50406382; Diethyl phthalate [NF]; Dimethyl phthalate, SAJ special grade, >=99.0%; Diethyl phthalate, 99.5%; Unimoll DM; AJ-07993; Methyl phthalate; RTR-030992; NCI-C60048; Diethyl phthalate, LR, >=99%; Kodaflex DEP; CHEBI:4609; NCGC00090692-02; 1,2-Benzenedicarboxylic acid, di-C4-13-alkyl esters; Diethyl o-phthalate; Diethylphthalate; HMS2233J05; NCGC00254098-01; Dimethyl orthophthalate; Neantine; Diethyl ester of 1,2-Benzenedicarboxylic acid; MLS002177801; NCGC00090692-01; Dimethyl-1,2-benzenedicarboxylate; NCGC00259423-01; ACN-S002427; Tox21_300183; EPA Pesticide Chemical Code 028002; AC1Q64KI; KSC448E0D; AN-1576; EC 201-550-6; Tox21_201874; HMS3369G01; Phthalsaeurediaethylester [German]; 1,2-benzenedicarboxylic acid diethyl ester; Phthalsaeuredimethylester [German]; C-34265; phthalic acid diethyl ester; BIDD:ER0639; Diethyl phthalate/dimethyl phthalate; 1,2-benzenedicarboxylic acid 1,2-dimethyl ester; SC-79614; F1908-0104; NCGC00090974-02; LS-1838; Phthalic acid, bis-C6-C8-branched alkyl esters C7-rich; ethyl 2-(ethoxycarbonyl)benzoate; dimethyl-phthalate; NCGC00090692-04; MLS001336022; Dimethyl 1,2-benzendicarboxylate; Epitope ID:140105; CHEMBL388558; Diethyl phthalate, 99%; Diethylester kyseliny ftalove; A10802; AK-98162; Diethyl phthalate (NF); BIDD:ER0349; FLKPEMZONWLCSK-UHFFFAOYSA-N; CHEMBL323348; P0302; NSC8905; o-Bis(ethoxycarbonyl)benzene; Phthalic acid diethyl; Phthalic acid, dimethyl ester; BENZENE,1,2-DICARBOXYLIC ACID,DIMETHYL ESTER (PHTHALIC ACID,DIMETHYL ESTER); CTK3E8201; NCGC00090974-03; RCRA waste number U102; 1,2-dimethyl phthalate; NSC-15398; MLS002152901; Kodaflex DMP; STL283931; RCRA waste no. U088; Repeftal; Tox21_301045; CJ-03533; Dimethyl phthalate, PESTANAL(R), analytical standard; o-Benzenedicarboxylic acid, diethyl ester; Dimethyl phthalate [BSI:ISO]; Solvanol; solvano l; Diethyl Phthalate MIL-D-242 Mil Spec; MFCD00009111; AKOS000119867; Dimethyl o-phthalate; diethylphthalate; CCRIS 2675; Tox21_202145; RP25304; NCGC00090692-03; ANW-75577; BDBM50090983; NCGC00090974-01; DTXSID3022455; BBL011577; Phthalic acid dimethyl ester; Estol 1550; Dimethylester kyseliny ftalove [Czech]; MCULE-5213082728; NCGC00090692-05; CTK0H7522; NSC 8905; Dimethyl phthalate; DPX-F5384; ACMC-20aj0r; Palatinol A; MLS002177800; CHEBI:34698; D03804; I952; NCGC00090692-06; Dimethylester kyseliny ftalove; NSC15398; BRN 1912500; Q-200982; UNII-UF064M00AF; EN300-18366; InChI=1/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H; ZB012098; DIETHYL PHTHALATE; Phthalol; Diethyl 1,2-benzenedicarboxylate; Diethyl phthalate, >=99.5%; Fermine; Kemester DMP; SCHEMBL34630; SMR000777937; 1,2-Diethyl phthalate; MFCD00008425; dimethyl benzene-1,2-dicarboxylate; NE10578; DMF, insect repellent; Diethyl phthalate, United States Pharmacopeia (USP) Reference Standard; CCRIS 2674; 68988-18-1; EINECS 201-550-6; ACMC-1BF2T; Diethyl Phthalate [USAN]; Phthalic acid, bis-isononyl ester; AI3-00262; KB-251524; EINECS 273-520-0; Dimethyl phthalate, 99%; C14175; KSC177K2F; FT-0625095; Dimethyl 1,2-benzenedicarboxylate; HSDB 1641; CAS-131-11-3; 1,2-Benzenedicarboxylic acid, diethyl ester; AC1L1NAJ; EINECS 205-011-6; DMF (insect repellant); Avolin; Phtalate de dimethyle [ISO-French]; DSSTox_RID_76323; HSDB 926; o-Benzenedicarboxylic acid diethyl ester; CAS-84-66-2; Diethyl-o-phthalate; Z57902306; Phtalate de dimethyle; AKOS008969337; TR-030992; Diethyl phthalate, >=99%; 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester; I01-6179; J-005938; Tox21_113536; 1352054-35-3; UF064M00AF; TR-004245; C11233; Uniplex 110; Diethyl Phthalate Metal Plastic IBC/Tote; 84-66-2; KS-00000VLC; Phthalsaeuredimethylester; Caswell No. 380; Diethyl phthalate, PESTANAL(R), analytical standard; NIQCNGHVCWTJSM-UHFFFAOYSA-N; MCULE-8221041887; Phthalic acid, diethyl ester; SBB060561; Mipax; WLN: 1OVR BVO1; Diethyl Phthalate, Pharmaceutical Secondary Standard; Certified Reference Material; Diethyl o-phenylenediacetate; InChI=1/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H; Phthalic acid, bis-methyl ester; Di-n-ethyl phthalate; Diethylester kyseliny ftalove [Czech]; NCGC00259694-01; CC-26717; DSSTox_CID_2455; BC222737; 1,2-Benzenedicarboxylic acid, dimethyl ester; MolPort-000-644-140; benzene-1,2-dicarboxylic acid dimethyl ester; ANW-19261; Benzenedicarboxylic acid, dimethyl ester; NSC 15398; Diethylphthalate, A-A-59314, JAN-D-242; Dimethyl benzeneorthodicarboxylate; PHTHALIC ACID,DIETHYL ESTER; Unimoll DA; Tox21_111050; ZINC1287; NSC-8905; Dimethyl phthalate, >=99%; diethyl phtalate; Diethyl phthalate, European Pharmacopoeia (EP) Reference Standard; bmse000846; Solvanom; AI3-00329; Density Standard 1191 kg/m3; I01-9418; Benzenedicarboxylic acid, diethyl ester; Solvarone; MolPort-003-905-624; Dimethyl benzene-o-dicarboxylate; AX8124754; 4-09-00-03172 (Beilstein Handbook Reference); DSSTox_GSID_22455; MLS001336021; Phthalic acid, bis-iso-nonyl ester; Diethyl phthalate, SAJ special grade, >=98.0%; diethyl-phthalate; FT-0624802; RCRA waste no. U102; RP27382; Diethyl phthalic acid; ZB000300; 1,2-dimethyl benzene-1,2-dicarboxylate; LS-737; NCGC00254947-01; Density Standard 1191 kg/m3, H&D Fitzgerald Ltd. Quality; ZINC391885; CS-0013981; STL163320; P0296; ST24046564; SBB060335; Dimethyl phthalate [USP]; Phthalsaeurediaethylester; 131-11-3; DIMETHYLPHTHALATE; 08X7F5UDJM; Palatinol M; DSSTox_GSID_21780; RCRA waste number U088; NCGC00090974-04; 1,dimethyl ester; Placidol E; DSSTox_RID_76596; Diethyl-1,2-benzenedicarboxylate; SMR000857334; NCGC00090974-06; UNII-08X7F5UDJM; RTR-004245; Phthalic acid, bis-isononyl ester 10 microg/mL in Cyclohexane; ENT 262; benzene-1,2-dicarboxylic acid diethyl ester; Phthalic acid, bis-ethyl ester; DB-062803; Ethyl phthalate; SCHEMBL22296; AC1Q42D5; BB_SC-7041; EC 205-011-6; NCGC00090974-05; AC1L1R8D | C12H14O4 | 222.24 | COC(=O)C1=CC=CC=C1C(=O)OC |
| TCMBANKIN061440 | Phytodolor | AIDS348374; 7-hydroxy-6,8-dimethoxychromen-2-one; NSC324637; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-chromen-2-one; NSC 324637; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; AIDS-348374; BRN 0202652; 7-hydroxy-6,8-dimethoxy-2-chromenone; 2H-1- Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; 7-hydroxy-6,8-dimethoxy-coumarin; Isofraxidin; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); Coumarin, 7-hydroxy-6,8-dimethoxy-; isofraxidin; 486I215; AC-8051; Q-100542; SCHEMBL3924718; 7-hydroxy-6,8-dimethoxychromen-2-one; HOEVRHHMDJKUMZ-UHFFFAOYSA-N; UNII-304915F056; NSC324637; V1549; 6,8-dimethoxy-7-hydroxycoumarin; ISOFRAXIDIN B814484K143; 7-hydroxy-6,8-dimethoxy-1-benzopyran-2-one; Isofraxidin, analytical standard; 7-hydroxy-6,8-dimethoxy-chromen-2-one; C17480; NSC 324637; 2H-1-Benzopyran-2-one,7-hydroxy-6,8-dimethoxy-; CTK8E5534; SC-17017; 2H-1-Benzopyran-2-one, 7-hydroxy-6,8-dimethoxy-; Umbelliferone, 6,8-dimethoxy-; 7-Hydroxy-6,8-dimethoxy-2H-1-benzopyran-2-one; CHEMBL451518; AC1NSX0O; Phytodolor; 6,8-dimethoxy-7-oxidanyl-chromen-2-one; FT-0688350; Ambotz486-21-5; TR-017709; A827571; NSC-324637; 6,8-Dimethoxyumbelliferone; AN-8405; DTXSID70197557; I14-19008; BRN 0202652; 7-Hydroxy-6,8-dimethoxycoumarin; LS-39687; FT-0698467; BG01525210; Isofraxidin; AKOS000278010; 486-21-5; 5-18-04-00332 (Beilstein Handbook Reference); MCULE-8927053707; ZINC1573299; 304915F056; Coumarin, 7-hydroxy-6,8-dimethoxy-; CHEBI:81121; W-2732; MolPort-000-882-100 | C11H10O5 | 222.19 | COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O |
植物对应的疾病
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植物对应的靶点
| 靶点ID | 基因名 | 基因别名 | 描述 | 染色体位置 | Map_Location | 基因类型 |
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