Plant Summary
Plant Information
TCMBank_ID: | TCMBANKHE007824 |
YEM_ID: | YEM-258 |
XU_ID: | XU-654 |
ID: | TCMBANKHE007824/YEM-258/XU-654 |
植物拉丁名: |
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功能与主治: | To clear heat and engender liquid, fortify spleen and promote digestion, resolve toxin and disperse swelling./Swelling pain in throat, dry cough with hoarseness, scant breast milk, intestinal heat and constipation, inappetence, indigestion, diarrhea, dysentery, swollen welling abscess, lichen. |
药用植物名: | 无花果 |
药名: | 无花果 |
来源: | 云南民族药物志：第二卷|云南省曲靖市宣威市 |
药用部位: | fruit|枝叶 |
使用民族: | 傣族/哈尼族/苗族/佤族 |
KUMST_ID1: | KMUST-BS-0667 |
KUMST_ID2: | KMUST-2024041200081-1 |
TCM_ID_id: | 6126 |
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 |
|---|
| TCMBANKIN000802 | 4-Pipecoline | EINECS 210-954-1; Piperidine, 4-methyl-; ST5213821; gamma-Pipecoline; AI3-52235; NSC66495; 4-Methylpiperidine; InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H; M73206_ALDRICH; NSC 66495; 68860_FLUKA; 4-Pipecoline (8CI); 626-58-4; .gamma.-Pipecoline | C6H13N | 99.17 | CC1CCNCC1 |
| TCMBANKIN000960 | 2,6-Dodecadiene,2,6-dimethyl- | C14H26 | 194.36 g/mol | CCCCCC=C(C)CCC=C(C)C | |
| TCMBANKIN001199 | 7,10,13-Hexadecatrienoic acid, methyl ester | (7E,10E,13E)-hexadeca-7,10,13-trienoic acid methyl ester; methyl (7E,10E,13E)-hexadeca-7,10,13-trienoate; Methyl (7E,10E,13E)-7,10,13-hexadecatrienoate; 7,10,13-Hexadecatrienoic acid,methyl ester | C17H28O2 | 264.4 g/mol | CCC=CCC=CCC=CCCCCCC(=O)OC |
| TCMBANKIN004031 | 1-acetyl-1-Cyclohexene | C8H12O | 124.18 g/mol | CC(=O)C1=CCCCC1 | |
| TCMBANKIN006249 | 2-Methoxy-1,3-dioxolane | C4H8O3 | 104.1 g/mol | COC1OCCO1 | |
| TCMBANKIN009190 | lupenone | lupenone ; 1617-70-5; LUPENONE; SCHEMBL1483620; NSC 281807; ZINC04081760; Lup-20(29)-en-3-one (8CI)(9CI); (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one; AIDS-082905; AIDS082905 | C30H48O | 424.7 g/mol | CC(=C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C |
| TCMBANKIN009320 | α-Methyl-α-［4-methyl-3-pentenyl］oxiranemethanol | ||||
| TCMBANKIN010658 | 2-Ethylhexenal | EINECS 211-448-3; InChI=1/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6; 2-Ethyl-3-propylacrolein; AIDS-017581; AIDS017581; 2-Ethyl-3-propylacrylaldehyde; 2-Ethyl-2-hexenol; 645-62-5; Acrolein, 2-ethyl-3-propyl-; NSC4787; FR-0969; NSC 4787; WLN: VHY2&U4; 128744-21-8; 2-Ethyl-2-hexenal; (2E)-2-ethylhex-2-enal; alpha-Ethyl-beta-N-propylacrolein; 2-Hexenal, 2-ethyl-; HSDB 1120; 2-Ethylhex-2-enal; AI3-08105; alpha-Ethyl-beta-propylacrolein; (E)-2-ethylhex-2-enal; SBB008156; CCRIS 4645; 2-Ethyl-3-propyl acrolein; .alpha.-Ethyl-.beta.-propylacrolein; 26266-68-2; .alpha.-Ethyl-.beta.-N-propylacrolein; PM 2015; 2-Ethylhex-2-en-1-al; CCRIS 4644; 2-Ethyl-2-hexen-1-al; EINECS 247-571-4; Hexenal, 2-ethyl- | C8H14O | 126.2 | CCCC=C(CC)C=O |
| TCMBANKIN011134 | 1-bromotriacontane | C30H61Br | 501.7 g/mol | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr | |
| TCMBANKIN011316 | Acetic acid glacial | C2H4O2 | 60.05 g/mol | CC(=O)O | |
| TCMBANKIN011448 | α-bulnessene | ||||
| TCMBANKIN012174 | 6,9-epoxy-ergosta-7,22-dien-3-ol | C28H44O2 | 412.6 g/mol | CC(C)C(C)C=CC(C)C1CCC2C1(CCC34C2=CC(O3)C5C4(CCC(C5)O)C)C | |
| TCMBANKIN012522 | Longiflene | ||||
| TCMBANKIN013064 | Methoxy phenyl oxime | Methoxyphenyl oxime | |||
| TCMBANKIN013596 | 5,6,7-Trimethoxycoumarin | 55085-47-7; 5,6,7-trimethoxychromen-2-one; 5,6,7-trimethoxy-2-chromenone; 5,6,7-trimethoxycoumarin; C09313; 2H-1-Benzopyran-2-one, 5,6,7-trimethoxy-; 5, 6, 7-Trimethoxycoumarin | C12H12O5 | 236.22 | COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OC |
| TCMBANKIN015469 | Diisopropyl methylphosphonate | C7H17O3P | 180.18 g/mol | CC(C)OP(=O)(C)OC(C)C | |
| TCMBANKIN015735 | 4-Tridecanol | C13H28O | 200.36 | CCCCCCCCCC(CCC)O | |
| TCMBANKIN015770 | Mentho furan | Menthofuran | C10H14O | 150.22 g/mol | CC1CCC2=C(C1)OC=C2C |
| TCMBANKIN016350 | Methyl isohexenyl ketone | ||||
| TCMBANKIN016526 | pyrrolidine carboxylicacd | C5H9NO2 | |||
| TCMBANKIN016748 | Linolenic alcohol | ||||
| TCMBANKIN022879 | Bicyclo［3.3.1］nonane | ||||
| TCMBANKIN023070 | Ethyl 3-hydroxybutyrate | C6H12O3 | 132.16 g/mol | CCOC(=O)CC(C)O | |
| TCMBANKIN023325 | heterodendrin | ZINC00897474; 3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile; AC1NAMRZ | C11H19NO6 | 261.27 g/mol | CC(C)C(C#N)OC1C(C(C(C(O1)CO)O)O)O |
| TCMBANKIN025277 | cyclopiloselloidone | C18H22O3 | 286.37 | CC(C)CC(=O)C1=CC(=CC2=C1OC(C=C2)(C)C)C(=O)C | |
| TCMBANKIN025664 | Benzofulvene | C10H8 | 128.17 g/mol | C=C1C=CC2=CC=CC=C12 | |
| TCMBANKIN027838 | Lupeol acetate | lupeol acetate; 3-Acetyllupeol; Acetic acid (1R,3aR,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-yl ester; C08630; AIDS-076591; Lup-20(29)-en-3-ol, acetate, (3beta)-; LMPR01060014; AIDS076591; Lup-20(29)-en-3beta-ol, acetate (8CI); NSC 281806; 1617-68-1; EINECS 216-575-8 | C32H52O2 | 468.75 | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C |
| TCMBANKIN028841 | 4,6-Dimethyl-2-pyrone | C7H8O2 | 124.14 g/mol | CC1=CC(=O)OC(=C1)C | |
| TCMBANKIN031210 | 1-ethyl-1H-pyrrole-2-Carbaldehyde | C7H9NO | 123.15 g/mol | CCN1C=CC=C1C=O | |
| TCMBANKIN031534 | 2,3-Dimethyldecane | C12H26 | 170.33 g/mol | CCCCCCCC(C)C(C)C | |
| TCMBANKIN032883 | Phthalicacid,isobutyl nonylester | C21H32O4 | 348.5 g/mol | CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C | |
| TCMBANKIN033482 | Quinicine | quinicine | C20H24N2O2 | 324.4 g/mol | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
| TCMBANKIN034278 | Tripropyleneglycol methyl ether | C10H22O4 | 206.28 g/mol | CC(CO)OCC(C)OCC(C)OC | |
| TCMBANKIN035511 | 1-Ethyl-2-methylcyclopentene | C8H14 | 110.2 g/mol | CCC1=C(CCC1)C | |
| TCMBANKIN035943 | Methyl linolelaidate | 9,12-Octadecadienoic acid, methyl ester, (E,E)-; 9,12-OCTADECADIENOIC ACID (Z,Z)-, METHYL ESTER, HYDROPEROXIDE; 62155_FLUKA; EINECS 219-901-7; Methyl (9E,12E)-9,12-octadecadienoate; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester, hydroperoxide; 11068-03-4; 2462-85-3; Methyl octadeca-9,12-dienoate; Methyl linoleate hydroperoxide; Methyl (9E,12E)-octadeca-9,12-dienoate; EINECS 219-560-4; AI3-36451; Linolelaidic acid, methyl ester; Methyl trans,trans-9,12-octadecadienoate; L2251_SIGMA; 2566-97-4; (9E,12E)-octadeca-9,12-dienoic acid methyl ester; octadeca-9,12-dienoic acid methyl ester; Methyllinolelaidate; Linolelaidic acid methyl ester | C19H34O2 | 294.47 | CCCCCC=CCC=CCCCCCCCC(=O)OC |
| 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] |
| TCMBANKIN037541 | alpha-Cubebene | α-cubebene; α- cubebene; 17699-14-8; alpha-cubebene; C09647 | C15H24 | 204.351 | C([H])([H])([H])[C@@]1([H])[C@@]2([C@]3([H])C(C([H])([H])[H])=C([H])C2([H])[H])[C@@]3([H])[C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1([H])[H] |
| TCMBANKIN037681 | Aflatoxin B1 | 312.27 g/mol | |||
| TCMBANKIN038323 | quinic acid | Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 | C7H12O6 | 192.167 | C1([H])(O[H])[C@@]([H])(O[H])C([H])([H])C(C(O[H])=O)(O[H])C([H])([H])[C@]1([H])O[H] |
| TCMBANKIN038351 | Aflatoxin B2 | 314.29 g/mol | |||
| TCMBANKIN039519 | psoralen | ZB004095; InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6; 5-19-04-00445 (Beilstein Handbook Reference); s4737; A-Lactone; AK105376; 6-hydroxy-5-benzofuranacrylic acid gamma-lactone; Furocoumarin; Psoralen, >=99% (HPLC); 7H-Furo[3,2-g]chromen-7-one; KB-249864; MFCD00010520; Furo[4',5':6,7]coumarin; SMR000112587; 7H-Furo[3,2-g]benzopyran-7-one; Oprea1_841692; AKOS004110987; NSC404562; AX8034569; P2077; Manaderm (TN); AN-8451; C09305; LS-70690; Psoralene; FCH917722; EINECS 200-639-7; 6-Hydroxy-5-benzofuranacrylic acid beta-lactone; KS-00000KP0; ZCCUUQDIBDJBTK-UHFFFAOYSA-N; 7-furo[3,2-g]chromenone; ZINC120283; SC-18328; AC1L1M09; HSDB 3528; 7H-Furo[3,2-g][1]benzopyran-7-one; 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, delta-lactone; API0003973; 4CN-1081; AIDS038395; PHYTOALEXIN-CMPD; FT-0603268; Ficusin; UNII-KTZ7ZCN2EX; D00VUI; Furo[3,2-g]coumarin; 3-(6-Hydroxy-5-benzofuranyl)-2-propenoic Acid ; N1332; Psorline-P; MolPort-001-741-377; D08450; MEGxp0_001172; Furo[4',7]coumarin; 66-97-7; ANW-73223; CCRIS 4343; Psoralen; Bio-0831; SCHEMBL17835; KTZ7ZCN2EX; 5-Benzofuranacrylic acid, 6-hydroxy-, delta-lactone; CTK2F4103; Furo(3,2-g)-coumarin; Furo[2'.3':7.6]coumarin; BDBM50331544; psoralen ; 2H-furo[3,2-g]chromen-2-one; CS-3756; 7H-Furo(3,2-g)(1)benzopyran-7-one; MLS001304059; NSC-404562; TNP00293; HY-N0053; 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone; NCGC00017351-03; 7H-Furo[3,2-g]chromen-7-one #; AIDS-038395; furano[3,2-g]chromen-2-one; P-7850; NCGC00142529-01; NCGC00017351-02; 010P520; AC-7968; RTX-010528; 7H-Furo[3,2-g][1]benzopyran-7-one, 9CI; 6-hydroxy-5-benzofuranacrylic acid delta-lactone; CHEMBL164660; 6,7-Furanocoumarin; CHEBI:27616; NSC 404562; I06-0551; 5-Benzofuranacrylic acid, 6-hydroxy-, .delta.-lactone; C-07470; Furo(4',5',6,7)coumarin; MCULE-2236160968; 2-Propenoic acid, 3-(6-hydroxy-5-benzofuranyl)-, .delta.-lactone; Psoralene (DCF); BRD-K47264279-001-01-4; pyrano[5,6-f]benzofuran-7-one; ZINC00120283; Furo(2',3',7,6)coumarin; CC-34001; Psoralen, analytical standard; DTXSID00216205; BRN 0152784; Psolaren; ST057250; ACon1_001579; HMS2267L05; 7-furo[3,2-g][1]benzopyranone; furo[3,2-g]chromen-7-one; Furo[2',3':7,6]coumarin; P8399_SIGMA; W1301; Manaderm; 7H-furo[3,2-g]chromen-7-one; Psoralen, 97%; A835599; ST24045730; AJ-11687; NCGC00017351-01 | C11H6O3 | 186.16 | C1=CC(=O)OC2=CC3=C(C=CO3)C=C21 |
| 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 |
| TCMBANKIN041371 | Fumaricine | (1R,8'S)-6,7-dimethoxy-2-methyl-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; Fumaricin; C09444; (1R,8'S)-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; BRD-A87196087-001-01-3; O-Methylfumarophycinol; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, trans-(-)-; 24181-77-9; 6',7'-DIMETHOXY-2'-METHYL-3',4',6,8-TETRAHYDRO-2H-SPIRO[INDENO[4,5-D][1,3]DIOXOLE-7,1'-ISOQUINOLIN]-8-OL; (1R,8'S)-6,7-dimethoxy-2-methyl-8'-spiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]ol; MolPort-005-945-964; AC1LD0NJ; Dihydroparfumidine; QDNMFIYGVRUVCE-UHFFFAOYSA-N; 6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-ol; ACon1_001324; fumaricine; Spiro[7H-indeno[4,5-d]-1,3-dioxole-7,1'(2'H)-isoquinolin]-8-ol, 3',4',6,8-tetrahydro-6',7'-dimethoxy-2'-methyl-, (7S-trans)- | C21H23NO5 | 369.411 | C([H])([H])([H])Oc1c([H])c(C([H])([H])C([H])([H])N(C([H])([H])[H])[C@@]23C([H])([H])c(c([H])c([H])c(OC([H])([H])O4)c45)c5[C@@]2(O[H])[H])c3c([H])c1OC([H])([H])[H] |
| TCMBANKIN043271 | 22-Cyclopentyloxil-22-deisopenty-3β-hydroxyl-furostanol | ||||
| TCMBANKIN043913 | psoralenol | 70522-30-4; 7-hydroxy-3-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one; Psoralenol; AC1NSZU1; LMPK12050036 | C20H18O5 | 338.4 g/mol | CC1(C(CC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C |
| TCMBANKIN044029 | heptadecanoic acid | Heptadecanoate carnitine; Carnitine heptadecanoic acid; Heptadecanoylcarnitine; 3-carboxy-N,N,N-trimethyl-2-[(1-oxoheptadecyl)oxy]-1-Propanaminium inner salt; CHEBI:131887; O-heptadecanoylcarnitine; LMFA07070067; 3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate; Heptadecanoyl carnitine; C17 carnitine; Carnitine heptadecanoate; SCHEMBL19182624; Heptadecanoyl acid carnitine | C17H34O2 | 270.451 | C([H])([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])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(=O)O[H] |
| TCMBANKIN045851 | linalool oxide | 68892-15-9; 5-Ethenyltetrahydro-5-methyl-2-(1-methylethyl)-2-furanol; 5-ETHENYL-2-ISOPROPYL-5-METHYLOXOLAN-2-OL; CTK9A1077; 2-Furanol, 5-ethenyltetrahydro-5-methyl-2-(1-methylethyl)-; AC1L39IG; 5-ethenyl-5-methyl-2-propan-2-yloxolan-2-ol | C10H18O2 | 170.25 | CC(C)C1(CCC(O1)(C)C=C)O |
| TCMBANKIN046154 | aflatoxin g1 | C17H12O7 | 328.27 g/mol | COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1 | |
| TCMBANKIN050004 | aflatoxin g2 | C17H14O7 | 330.29 g/mol | COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1 | |
| TCMBANKIN050397 | N-Methyl hernangerine | n-methylhernangerine ; n-methylhernangerine | C19H19NO4 | 325.358 | C1([H])([H])N(C([H])([H])[H])[C@]2([H])c(c(c(OC([H])([H])O3)c3c4[H])c5c(c([H])c([H])c(O[H])c5OC([H])([H])[H])C2([H])[H])c4C1([H])[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 |
| TCMBANKIN057973 | NSC405997 | 22513-81-1; 1,22-Docosanediol; AIDS-471012; AIDS471012; docosane-1,22-diol;DTXSID00324197; CTK1A7857; AKOS028111015; 1,22-Docosanediol; MCULE-8562052651; AC1L873A; SCHEMBL472790; CHEMBL470773; NSC-405997; HIBKFQRBONXURO-UHFFFAOYSA-N; NSC405997; 1,22-hexadecanediol; docosane-1,22-diol;1,22-docosanediol | C22H46O2 | 342.6 g/mol | C(CCCCCCCCCCCO)CCCCCCCCCCO |
| TCMBANKIN058045 | 1,13-tetradecadiene | C14H26 | 194.36 g/mol | C=CCCCCCCCCCCC=C | |
| TCMBANKIN058314 | benzaldehyde | SCHEMBL896024; A804633;Benzoic aldehyde;WLN: VHR;InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6; CHEBI:17169; Benzene methylal; B1334_ALDRICH; Ald3-H_000012; Benzenecarbonal; Benzaldehyde (natural); NCGC00091819-01; AI3-09931; EINECS 202-860-4; Oil of Bitter Almond; ST5213372; Artificial essential oil of almond; nchembio814-comp15; LS-27; EPA Pesticide Chemical Code 008601; BENZALDEHYDE; W212709_ALDRICH; Ald3.1-H_000160; D02314; Benzenemethylal; NCI-C56133; HSDB 388; 12010_FLUKA; Ald3.1-H_000479; Benzaldehyde FFC; W212717_ALDRICH; Benzene carbaldehyde; CCRIS 2376; 100-52-7; Benzaldehyde [UN1990] [Class 9]; Caswell No. 076; Benzenecarboxaldehyde; Benzoyl hydride; Ald3.1-H_000798; Benzaldehyde (NF); Artificial Almond Oil; Benzaldehyde [USAN]; Artificial Bitter Almond Oil; 09143_FLUKA; C00261; Synthetic oil of bitter almond; FEMA No. 2127; ghl.PD_Mitscher_leg0.170; c0279; 418099_ALDRICH; Benzoic aldehyde; Benzene carboxaldehyde; benzanoaldehyde; Bitter almond oil, synthetic; UN1990; NSC7917; Almond Artificial Essential Oil; NSC 7917; Benzadehyde; Phenylmethanal | C7H6O | 106.12 | C1=CC=C(C=C1)C=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 |
| TCMBANKIN058374 | Indolyl acetic acid | 3-indolylaceticacid;Indole acetic acid;IES;heteroauxin;1H-Indole-3-acetic acid (9CI); beta-Indoleacetic acid; 54692-39-6; I8262_SIGMA; CHEBI:16411; 87-51-4; 1H-indol-3-ylacetic acid; CCRIS 1014; Heteroauxin; InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13; 1H-Indole-3-acetic-a-t acid (9CI); EPA Pesticide Chemical Code 128915; EU-0099905; Indole-3-acetic acid-carboxy-14C; Acetic acid, indolyl-; beta-Indolylacetic acid; I3750_ALDRICH; omega-Skatole carboxylic acid; 2-(1H-Indol-3-yl)acetic acid; .beta.-Indole-3-acetic acid; MLS001066408; I2886_SIGMA; C00954; Hexteroauxin; .beta.-Indolylacetic acid; Indol-3-ylacetic acid; Rhizopin; Indole-3-acetic acid (8CI); [3H]-IAA; NSC 3787; Indole-3-acetic-t acid; WLN: T56 BMJ D1VQ; 3-(Carboxymethyl)indole; .alpha.-Indol-3-yl-acetic acid; 45533_RIEDEL; (1H-Indol-3-yl)acetic acid; ST5308201; .omega.-Skatole carboxylic acid; Maybridge1_006755; IAA; SDCCGMLS-0066204.P001; beta-IAA; Indoleacetic acid (VAN); 3-IAA; 3-Indolylacetic acid; 6305-45-9; Indolyl-3-acetic acid; 3-Indolylessigsaeure; Oprea1_602123; indole-3-acetic acid; IAC; Rhizopon A; Kyselina 3-indolyloctova [Czech]; 2-(3-Indolyl)acetic acid 3-(Carboxymethyl)-1H-indole; 1H-Indole-3-acetic acid; 3-Indolylmethylcarboxylic acid; .beta.-IAA; AIDS009893; SMR000471855; SR-01000596909-2; EINECS 201-748-2; 2-(1H-indol-3-yl)ethanoic acid; alpha-IAA; Heteroauxinhexteroauxiniaa; .alpha.-IAA; indoleacetic acid; 2-(indol-3-yl)ethanoic acid; 3-Indoleacetic acid; NSC3787; .beta.-Indoleacetic acid; AIDS-009893; AI3-24131 | C10H9NO2 | 175.18 g/mol | C1=CC=C2C(=C1)C(=CN2)CC(=O)O |
| TCMBANKIN058440 | 2-furancarboxaldehyde | 2-Furfuraldehyde; NCGC00091328-01; Furale; Caswell No. 466; CCRIS 1044; Nci-C56177; Fural; NSC8841; Furaldehydes [UN1199] [Poison]; LS-28; AI3-04466; EPA Pesticide Chemical Code 043301; 2-Furylcarboxaldehyde; 2-Furil-metanale [Italian]; NSC 8841; Furol; Furfural; 2-furfural; 2- Furfuraldehyde; furaldehyde; 48070_FLUKA; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde; EINECS 202-627-7; furan-2-carbaldehyde; WLN: T5OJ BVH; 2-Furylaldehyde; Ant Oil, artificial; Furancarbonal; Bran oil; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; HSDB 542; Quakeral; Furfurole; Furfurale [Italian]; Furfurale; .alpha.-Furole; FURFURAL; Pyromucic aldehyde; ZINC03861345; 2-Furyl-methanal; 2-Furil-metanale; BRN 0105755; Furole; Furfural (natural); RCRA waste no. U125; Furaldehyde; Artificial ant oil; 2-Furaldehyde, purified; W248908_ALDRICH; 2-Formylofuran [Polish]; UN1199; 2-Furanaldehyde; FEMA No. 2489; 2-Furancarboxaldehyde; 185914_ALDRICH; 2-Furancarbonal; 2-Furfural; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; Artificial oil of ants; 2-Furaldehyde; RCRA waste number U125; 319910_SIAL; 2-Formylfuran; Furfuraldehyde; C14279; Furan-2-carboxaldehyde; Furfurol; SBB004386; 98-01-1; W248924_ALDRICH; 2-Furankarbaldehyd [Czech]; 2-Furylaldehyde xypropane; F1294-0048; 39276-09-0; Furfural (2-Furfurol, 2-Furaldehyde); Furfural, natural, >=98%, FCC, FG; Furfural, ACS reagent, 99%; FEMA No. 2968; CTK1B4104; Tox21_111114; Rcra waste number U125; 2-Furylcarboxaldehyde; KSC214C0J; 2-Furylaldehyde; 72277-EP2308870A2; ST50213385; EC 202-627-7; 2-furancarbaldehyde; QSPL 102; AKOS000118907; I14-0911; alpha-Furole; FURFURAL; AC1L1OL7; 2-Furil-metanale; BRN 0105755; furan-2-carboxaldehydl; Artificial ant oil; Fuf ural; BIDD:ER0698; F0073; QSPL 006; 2-Furancarbonal; 2-Furfural; WOOD VINEGAR; 2-Furaldehyde; Furfuraldehyde; 2-Furankarbaldehyd [Czech]; Furfurol; I14-22069; RL06103; 72277-EP2308867A2; CCRIS 1044; Fural; furfuraldehydl; Tox21_300170; EPA Pesticide Chemical Code 067206; KB-24259; Furaldehydes [UN1199] [Poison]; HYBBIBNJHNGZAN-UHFFFAOYSA-N; FEMA No. 2967; 2-Furil-metanale [Italian]; SC-18048; Furaldehydes; WLN: T5OJ BVH; ACMC-20978u; Furyl-methanal; 5-17-09-00292 (Beilstein Handbook Reference); Furfurylaldehyde; ZINC3861345; Furfurole; Furfurale [Italian]; UNII-N4G9GAT76C component HYBBIBNJHNGZAN-UHFFFAOYSA-N; Furaldehydes [UN1199] [Poison]; Tox21_202191; TRA0077688; 2-Furyl-methanal; CAS-98-01-1; Furfural (natural); 2-furaldehydl; EBD294; Caswell No. 904; 2-Furankarbaldehyd; 2-Furanaldehyde; FEMA No. 2489; BP-31002; Pyroligneous acids; CHEMBL189362; Artificial oil of ants; NCGC00253954-01; 2-Formylfuran; DSSTox_GSID_20647; DB-003668; Furol; NCGC00259740-01; LS-162370; 2-furan-carboxaldehyde; alpha-Furfuraldehyde; Caswell No. 466; NCGC00091328-04; Nci-C56177; Furfural, 99%; 2-FURANCARBOXALDEHYDE, ACS; LS-28; DTXSID1020647; AC1Q6PVV; AI3-04466; FEMA 2489; Fufural; furan-2-carbaldehyde; Ant Oil, artificial; Bran oil; Quakeral; Ant Oil; HSDB 542; Furane-2-carbaldehyde; STL283124; A845786; 2-Furylmethanal; ANW-13660; Furfurale; Wood Tar; RTC-069695; DSSTox_RID_75709; DJ1HGI319P; Furaldehyde; 2-Formylofuran; Furfural, for synthesis, 98.0%; UN1199; MCULE-5757882837; 2-Furancarboxaldehyde; 2-Furaldehyde, 8CI; NCGC00091328-02; Furfural, >=98%, FCC, FG; Qo furfural; furan-2-aldehyde; a-Furole; SBB004386; 2-furanal; 1998/1/1; Furale; NSC-8841; 72277-EP2277848A1; NSC8841; Furfural, SAJ first grade, >=99.0%; 2-Formyl furan; EPA Pesticide Chemical Code 043301; NSC 8841; U1199; UNII-DJ1HGI319P; EINECS 202-627-7; NCGC00091328-03; 2-Furaldehyde, 98% 250g; furan-2 carbaldehyde; Pyroligneous vinegar; CS-0015696; Furancarbonal; CHEBI:34768; a-furfuraldehyde; Furancarboxaldehyde; .alpha.-Furole; Pyromucic aldehyde; Furfuralu; Furole; RCRA waste no. U125; KS-00000WKJ; MolPort-000-871-210; EINECS 232-450-0; Furfural, analytical reference material; 2-Formylofuran [Polish]; DSSTox_CID_647; STR00358; InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4; MFCD00003229; 2-furancarboxyaldehyde; AM81812; Pyroligneous acid extract; C14279; Furan-2-carboxaldehyde | C5H4O2 | 96.08 g/mol | C1=COC(=C1)C=O |
| TCMBANKIN058484 | quinic acid | Cyclohexanecarboxylicacid, 1,3,4,5-tetrahydroxy-, (1a,3R,4a,5R); SCHEMBL12464756; Kinate; SCHEMBL13577075; 1,3,4,5-Tetrahydroxycyclohexane-carboxylic acid; quinate; quinicacid; Quinic acid; (3R)-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; Chinate; SCHEMBL14960616; (1R,3R,4S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid; (3R)-1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid; SCHEMBL39555; A839299 | C7H12O6 | 192.17 | C1C(C(C(CC1(C(=O)O)O)O)O)O |
| 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 |
| TCMBANKIN058848 | geraniol acetate | 75157-67-4; (E)-3,7-dimethyl-2,6-octadien-1-yl ace tate; SCHEMBL6569468; 3,7-Dimethyl-trans-2,6-octadien-1-yl acetate; 3,7-dimethyl-2-trans,6-octadienyl acetate; LS-392; (E)-3,7-dimethyl-2,6-octadien-1-ol acetate; (1E/Z)-acetic acid 2,6-dimethylhepta-1,5-dienyl ester; geranoil acetate; geranylacetate; geranyl acetate | C11H18O2 | 182.26 g/mol | CC(=CCCC(=COC(=O)C)C)C |
| TCMBANKIN058851 | linalool | Spectrum5_000393; KBioGR_002294; KBio2_003260; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; W263516_ALDRICH; ZINC01529820;beta-linalool;NSC-3789; AK-50127; (+/-)-3,7-Dimethyl-1,6-octadien-3-ol; ACMC-209pf1; D0X5DC; Linalool Solution, 1000 mg/L, 1 ml (RM, ISO GUIDE 34); Linalool, primary pharmaceutical reference standard; CDOSHBSSFJOMGT-UHFFFAOYSA-N; AC1L1MRY; Howood Oil; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3S)-; KSC377K8J; AC1Q1NVD; KB-179981; (+/-) LINALOOL; NCGC00259207-01; 3,6-dien-3-ol; AI3-00942; HSDB 645; (S)-Linalol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 2,6-Dimethylocta-2,7-dien-6-ol; Linalool ex orange oil; (?)-3,7-Dimethyl-1,6-octadien-3-ol; DB-062552; I14-13929; FT-0614785; FCH1115719; Tox21_201658; 11024-20-7; BB_NC-00123; MolPort-001-783-101; LS-97796; 2,6-Dimethyl-2,7-octadien-6-ol; Linalool (natural); L0048; Linalool; BRN 1721488; 2,7-octadiene-6-ol; DSSTox_RID_77812; 3,7-Dimethyl-1,6-octadien-3-ol; BC207603; STL373777; AC1Q2BP3; FEMA No. 2635; ANW-37211; MCULE-2407576698; 3,6-octadien-3-ol; Natural Linalool; Linalool b; SCHEMBL20316; BBL027734; EINECS 204-811-2; LINALOOL (+); CU-01000013132-2; LINOLOOL (D); ST069326; dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene; NSC 3789; CHEBI:17580; Linalool ex ho oil; Linalool, 97%; (.+/-.)-Linalool; allo-Ocimenol; GTPL2469; CCRIS 6557; ( -)-Linalool; BG00600803; NCGC00257060-01; C03985; EINECS 201-134-4; HMS2268E18; Tox21_303037; Phantol; (+-)-Linalool; SBB012353; SMR000112394; DTXSID7025502; (R)-3,7-Dimethyl-1,6-octadien-3-ol; DL -3,7-Dimethyl-3-hydroxy-1,6-octadiene; BB_NC-0123; NCGC00091688-04; (+/-)-3,7-Dimethyl-3-hydroxy-1,6-octadiene; CHEMBL25306; MLS002152908; WLN: 1Y1&U3XQ1&1U1 -,-; LINALYL ALCOHOL; Q-201306; 0-01-00-00462 (Beilstein Handbook Reference); SC-74998; CAS-78-70-6; (+/-)-linalool; LINALOOL EX BOIS DE ROSE; RTR-030706; NCGC00091688-02; Linalool, analytical standard; MFCD00008906; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; Linalool, >=97%, FCC, FG; AC-551; Linolool; NSC3789; Linalool, certified reference material, TraceCERT(R); FEMA Number 2635; AKOS015901617; 3,7-Dimethyl-1, 6-octadien-3-ol; p-Linalool; Linalool ex bois de rose oil; FEMA 2635; DSSTox_CID_5502; .beta.-Linalool; EC 201-134-4; TR-030706; CTK2H7584; LS-1752; KS-00000WLW; 3,7-Dimethylocta-1,6-dien-3-ol; DSSTox_GSID_25502; WLN: 1U1XQ1&3UY1&1; 1,6-Octadien-3-ol, 3,7-dimethyl-; ( )-linalool; CCRIS 3726; Linanool; 78-70-6; NCGC00091688-03; Caswell No. 526A; AN-22986; 2,6-Dimethyl-2,7-octadiene-6-ol; (RS)-Linalool; RP21877; (1)-3,7-Dimethyl-1,6-octadien-3-ol; AN-15757; AC1Q1NVE; LINALOOL, (+-)-; NCGC00091688-01; Linalol; beta-Linalool; EINECS 245-083-6; 22564-99-4; Linalool, .beta.; 2,7-dien-6-ol; EPA Pesticide Chemical Code 128838; 1, 3,7-dimethyl-, (-)-; 3,7-dimethyl-octa-1,6-dien-3-ol;L-linalool;CJ-23937; Spectrum5_000393; LMPR0102010013; AKOS028109218; linalool ; Linalool; 1,6-Octadien-3-ol,3,7-dimethyl-, (3R)-; (R)-3,7-Dimethyl-1,6-octadien-3-ol; AC1L9E4Q; KBioGR_002294; (R)-3,7-dimethylocta-1,6-dien-3-ol; KBio2_003260; Epoxydihydrolinalool; KBio2_000692; (3R)-3,7-dimethylocta-1,6-dien-3-ol; ZINC1529820; Spectrum4_001777; C11388; linalool oxide; 126-91-0; 3U21E3V8I2; KBio3_002285; CCG-38497; CTK8F1408; KBio2_005828; KBioSS_000692; (-)-Linalool; EINECS 204-811-2; (-)-3,7-dimethyl-1,6-octadien-3-ol; LINALOOL (+); (3R)-Linalool; L-LINALOOL, REF. IND.-14<F128><144><F255>; CHEMBL235672; CHEBI:28; SpecPlus_000909; SCHEMBL891312; (-)-Linalool, analytical standard; UNII-3U21E3V8I2; KBio1_001949; J-005448; MolPort-003-666-060; NCGC00095658-01; FT-0772303; BSPBio_002785; SDCCGMLS-0066889.P001; UNII-D81QY6I88E component CDOSHBSSFJOMGT-JTQLQIEISA-N; L-Linalool; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, (-)-; L-Linalool, natural, >=95%, FG; SPBio_002007; Spectrum3_001173; 1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-; NCGC00095658-02; SPECTRUM1501212; SMP2_000331; (-)-Linalool, >=95.0% (sum of enantiomers, GC); Linalool, (-)-; 3R,7-dimethylocta-1,6-dien-3-ol; DivK1c_007005; (R)-linalool; (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol; DTXSID40872607; laevo-linalool; MFCD00135469; Spectrum2_001944; I14-45868; (3R)-3,7-dimethyl-1,6-octadien-3-ol; Spectrum_000212; (R)-(-)-Linalool | C10H18O | 154.25 g/mol | CC(=CCCC(C)(C=C)O)C |
| TCMBANKIN058893 | bergamotene | β-Bergamotene; beta-bergamotene | C15H24 | 204.35 g/mol | CC(=CCCC1(C2CCC(=C)C1C2)C)C |
| TCMBANKIN058938 | pyrryl-alpha-methyl ketone | C6H7NO | 109.13 g/mol | CC(=O)C1=CC=CN1 | |
| TCMBANKIN058940 | 1-acetyl-1-Cyclohexene | 1-1-acetyl-1-cyclohexene | C8H12O | 124.18 g/mol | CC(=O)C1=CCCCC1 |
| TCMBANKIN059062 | acetoin | (3S)-3-oxidanylbutan-2-one; A828564; AC1L9L7E; 1p28; (+)-acetoin; R,3-HYDROXYBUTAN-2-ONE; 78183-56-9; CTK2G5620; (3S)-3-hydroxy-2-butanone; (S)-Acetoin; HBS; S,3-HYDROXYBUTAN-2-ONE; (3S)-3-hydroxybutan-2-one; (S)-acetylmethylcarbinol; AJ-24161; (S)-2-Acetoin; UNII-BG4D34CO2H component ROWKJAVDOGWPAT-VKHMYHEASA-N; L-(+)-acetoin; ZINC895238; 2-Butanone, 3-hydroxy-, (3S)-; C01769; CHEBI:15687; DB02788;3-hydroxy-2-butanone;Acetyl methyl carbinol;3-Hydroxybutan-2-One | C4H8O2 | 88.11 g/mol | CC(C(=O)C)O |
| TCMBANKIN059070 | BU3 | 237639_ALDRICH; C03044; ZINC00901616; CHEBI:16982; (2R,3R)-butane-2,3-diol; (2R,3R)-(−)-2,3-Butanediol; NSC15829;2,3-butanediol;(2R,3R)-(-)-2,3-Butanediol, 97%; 32399-EP2301933A1; CHEBI:16982; OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol, (R*,R*)-(+-)-; 2,3-Butanediol, (-)-; AKOS015907648; RTR-011239; Levo-2,3-Butanediol; FT-0604653; (R,R)-2,3-butanediol; AC1Q59P8; TR-011239; D-(-)-2,3-Butanediol; NSC15829; (R,R)-(-)-Butane-2,3-diol; L-(-)-2,3-Butanediol; CTK2F5358; OR02B2286A; NSC-15829; C03044; UNII-TMS4MGA0H4 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; KB-03485; 24347-58-8; (2R,3R)-butane-2,3-diol; (2R,3R)-rel-2,3-Butanediol; BU3; AC1L5EEH; UNII-OR02B2286A; AKOS016015450; RP18534; (2R, 3R)-(-)-2,3-butanediol; AK-84477; ST24033981; (2r,3r)-butan-2,3-diol; (2R*,3R*)-2,3-dihydroxybutane; ZINC901616; (R,R)-(-)-2,3-Dihydroxybutane; (2R, 3R)(-)-2,3-butanediol; (-)-(r,r)-2,3-butanediol; (R,R)-(-)-2,3-Butylene Glycol; MolPort-003-927-419; (R,R)-2,3-Butylene glycol; (2R,3R)-(+)-2,3-butanediol; UNII-45427ZB5IJ component OWBTYPJTUOEWEK-QWWZWVQMSA-N; ANW-25408; I14-2853; J-506903; (R,R)-Butane-2,3-diol; (2R,3R)-(-)-2,3-Butanediol; 32399-EP2311827A1; EINECS 246-186-9; BP-30189; J-500969; (2R,3R)-2,3-butanediol; (r,r)-2,3 butanediol; (-)-(2R,3R)-Butanediol; KS-00000V6N; AJ-24368; (-)-2,3-butanediol; UNII-6510BGK6C5 component OWBTYPJTUOEWEK-QWWZWVQMSA-N; 2,3-Butanediol #; AC-26496; 347B588; (R,R)-(-)-2,3-Butanediol; D(-)-2,3-butanediol; A817243; TL8002002; MFCD00064267; 2,3-Butanediol, threo-; 6982-25-8; DB-009316; FT-0696715; 2,3-Butanediol, [R-(R*,R*)]- | C4H10O2 | 90.12 | CC(C(C)O)O |
| TCMBANKIN059081 | 6-[(2R)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-coumarin | 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one; 6-[(2R)-2,3-dihydroxy-3-methyl-butyl]-5,7-dimethoxy-chromen-2-one; 483-90-9; 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2-chromenone; 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy- | C16H20O6 | 308.33 | CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)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 |
| TCMBANKIN059272 | diisobutyl phthalate | di-isobutyl phthalate;ST5405544; diisobutyl benzene-1,2-dicarboxylate; benzene-1,2-dicarboxylic acid diisobutyl ester; Di-iso-butyl phthalate; 80130_FLUKA; Isobutyl phthalate; bis(2-methylpropyl) benzene-1,2-dicarboxylate; (C4-C13) Branched alkyl alcohols, phthalic anhydride ester; ZINC00388318; EINECS 201-553-2; NSC15316; 1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester; Diisobutyl phthalate; 152641_ALDRICH; EINECS 273-157-8; 68951-39-3; C15205; AI3-04278; Phthalic acid, diisobutyl ester; BRN 2054802; NCGC00091360-01; NSC 15316; WLN: 1Y1&1OVR BVO1Y1&1; 4-09-00-03177 (Beilstein Handbook Reference); Diisobutylester kyseliny ftalove [Czech]; Hexaplas M/1B; 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters; AI3-04278 (USDA); Kodaflex DIBP; 68955-80-6; Hatcol DIBP; HSDB 5247; CCRIS 6193; di-l-butyl phthalate (DIBP); Di(i-butyl)phthalate; SMR000112470; MLS000516002; 84-69-5; Palatinol IC | C16H22O4- C6H4[CO2CH2CH(CH3)2]2 | 278.34 g/mol | CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| TCMBANKIN059282 | Lilac aldehyde B | Lilac aldehyde | C10H16O2 | 168.23 g/mol | CC(C=O)C1CCC(O1)(C)C=C |
| TCMBANKIN059686 | 2,3-Dimethylphenol | C8H10O | 122.16 | CC1=C(C(=CC=C1)O)C | |
| TCMBANKIN059980 | 4-methyl-1-isopropyl-3-cyclohexen-1-ol | C10H18O | 154.25 g/mol | CC1=CCC(CC1)(C(C)C)O | |
| TCMBANKIN059982 | d-limonene | C10H16 | 136.23 g/mol | CC1=CCC(CC1)C(=C)C | |
| TCMBANKIN060009 | copaene; (-)-Alpha-Copaene; α-copaene | C15H24 | 204.35 g/mol | CC1=CCC2C3C1C2(CCC3C(C)C)C | |
| 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 | |
| TCMBANKIN060705 | methyl linoleate | C19H34O2 | 294.47 | CCC=CCC=CCC=CCCCCCCCC(=O)OC | |
| TCMBANKIN060790 | leaf aldehyde | C6H10O | 98.14 g/mol | CCCC=CC=O | |
| TCMBANKIN060822 | 11-hexadecenoic acid | C16H30O2 | 254.41 g/mol | CCCCC=CCCCCCCCCCC(=O)O | |
| TCMBANKIN060879 | Linolic acid | C18H32O2 | 280.4 g/mol | CCCCCC=CCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060918 | WLN: VH6 | C7H14O | 114.19 | CCCCCCC=O | |
| TCMBANKIN060944 | nonanoic acid | C9H18O2 | 158.24 g/mol | CCCCCCCCC(=O)O | |
| TCMBANKIN060958 | oleic acid;cis-oleic acid;oleinic acid | C18H34O2 | 282.46 | CCCCCCCCC=CCCCCCCCC(=O)O | |
| TCMBANKIN060994 | capraldehyde | C10H20O | 156.26 g/mol | CCCCCCCCCC=O | |
| TCMBANKIN061004 | dodecanoic acid | C12H23O2- | 199.31 g/mol | CCCCCCCCCCCC(=O)[O-] | |
| TCMBANKIN061029 | myristic acid | C14H28O2 | 228.37 | CCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061043 | MYS | C15H32 | 212.41 | CCCCCCCCCCCCCCC | |
| TCMBANKIN061045 | PENTADECYLIC ACID | C15H30O2 | 242.4 g/mol | CCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061071 | Ethylpalmitate | C18H36O2 | 284.5 g/mol | CCCCCCCCCCCCCCCC(=O)OCC | |
| TCMBANKIN061089 | 3-eicosene | C20H40 | 280.53 g/mol | CCCCCCCCCCCCCCCCC=CCC | |
| TCMBANKIN061091 | stearic acid | CH3(CH2)16COOH | 284.5 g/mol | CCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061100 | nonadecane | C19H40 | 268.5 g/mol | CCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061105 | Eicosanoic acid | C20H40O2 | 312.53 g/mol | CCCCCCCCCCCCCCCCCCCC(=O)O | |
| TCMBANKIN061127 | n-tetracosane | C24H50 | 338.65 | CCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061136 | n-heptacosane | C27H56 | 380.73 | CCCCCCCCCCCCCCCCCCCCCCCCCCC | |
| TCMBANKIN061170 | heptadecanol | C17H36O | 256.47 | CCCCCCCCCCCCCCCCCO | |
| TCMBANKIN061214 | Butyl butyrate | C8H16O2 | 144.21 g/mol | CCCCOC(=O)CCC | |
| 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 |
| TCMBANKIN061695 | Majudin | Spectrum2_000534; 5-19-06-00004 (Beilstein Handbook Reference); 4-methoxyfuro[3,2-g]chromen-7-one; Spectrum3_000663; KBio3_001545; CCRIS 4348; KBioGR_002055; 4-methoxy-7-furo[3,2-g]chromenone; DivK1c_000529; NCGC00091582-01; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; KBio2_001274; TNP00299; NINDS_000529; Bergapten; Spectrum5_000155; EINECS 207-604-5; KBio1_000529; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; KBioSS_001274; ACon0_000984; AIDS031096; 4-methoxy-7H-furo[3,2-g]chromen-7-one; HSDB 3466; 5-Methoxypsoralen; Spectrum_000794; KBio2_003842; BSPBio_002325; MEGxp0_000990; 65320_FLUKA; BRN 0019560; 5-Mop; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; NCGC00091582-02; Bergaptene; 5-Methoxy psoralen; NCI60_042121; 5-Methoxy-6,7-furanocoumarin; KBio2_006410; 4-Methoxy-furo[3,2-g]chromen-7-one; IDI1_000529; Bergapten(e); BAS 00674110; ACon1_001979; SPBio_000547; 5-Methoxypsoralen with ultraviolet A therapy; BERGAPTAN; Psoraderm; SDCCGMLS-0066492.P001; NSC95437; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; ST057259; ZINC00057731; InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H; C01557; Heraclin; NCGC00091582-03; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 275727_ALDRICH; Spectrum4_001478; SPECTRUM300546; O-Methylbergaptol; 5-Methoxyfuranocoumarin; NSC 95437; NCGC00017357-01; AIDS-031096; 484-20-8; Oprea1_562364; 5-methoxypsoralen; bergapten;5-19-06-00004 (Beilstein Handbook Reference); AB00052148_06; V0122; DivK1c_000529; NCGC00259906-01; KBio2_001274; EINECS 207-604-5; Geralen; SR-05000002173; KBio1_000529; KBioSS_001274; Majudin; 4-Methoxy-7H-furo[3,2-g]chromen-7-one #; 4-Methoxy-7H-furo[3,2-g]chromen-7-one; HMS501K11; 5-Methoxypsoralen, 99%; SMR000112435; NCGC00017357-03; NCGC00017357-07; CAS-484-20-8; B2840; AK134854; KS-00000GSD; TR-017690; Bergapten(e); NCGC00017357-04; BAS 00674110; CC-24574; C-11626; BERGAPTAN; Psoraderm; D07521; SDCCGMLS-0066492.P001; BRD-K12968785-001-03-4; MLS002207272; 5-Methoxypsoralen (Bergapten); InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H; Bergaptene (DCF); 5-methoxy-psoralen; Pentaderm (TN); SPECTRUM300546; HY-N0370; ANW-42611; 5-Methoxypsoralen (obsol.); 5-Methoxy psoralen; KBioGR_002055; Oprea1_562364; Tox21_303255; NCGC00178705-02; Q-100536; Spectrum3_000663; BRD-K12968785-001-02-6; 4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one; NCGC00017357-08; 7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-; ZINC57731; TNP00299; Bergapten; BDBM50067880; Spectrum5_000155; NSC755877; 4-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one; AB00052148_07; DS-2970; Spectrum_000794; KBio2_003842; 5-methoxy-2H-furo[3,2-g]chromen-2-one; BRN 0019560; NCGC00178705-01; 5-Mop; UNII-4FVK84C92X; M-9412; NCGC00091582-02; HMS2268M24; CHEBI:18293; CS-2234; 5 methoxypsoralen; 5-methoxypsoralen ; 5-Methoxy-6,7-furanocoumarin; KBio2_006410; NCGC00017357-05; SR-05000002173-5; CCG-39946; 5-Methoxypsoralen with ultraviolet A therapy; DSSTox_CID_5560; NSC95437; CJ-00484; 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-methoxy-; ST057259; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, .gamma.-lactone; NCGC00017357-02; N1304; AC1Q47BC; NCGC00091582-03; SBI-0051583.P002; 4-Methoxy-7H-furo[3,2-g]benzopyran-7-one; NSC 95437; 5-methoxyfurano[3,2-g]chromen-2-one; bergaptene; 484-20-8; CTK3J2399; s4239; Spectrum2_000534; Pentaderm; 4FVK84C92X; KBio3_001545; HMS3652F19; ST2411501; NINDS_000529; STK333038; MCULE-7768334865; NCGC00017357-06; HSDB 3466; 5-Methoxypsoralen; BSPBio_002325; CB-1199; 6-Hydroxy-4-methoxy-5-benzofuranacrylic acid, gamma-lactone; BGEBZHIAGXMEMV-UHFFFAOYSA-N; I14-13388; MFCD00010272; bmse000758; IDI1_000529; AB0019675; DB12216; 4-Methoxyfuro[3,2-g]benzopyrane-7-one; 4-Methoxyfuro[3,2-g]benzopyran-7-one; O-Methylbergaptol; 484B208; RTR-017690; NCGC00091582-04; SC-46077; AKOS000276715; SR-05000002173-3; CCRIS 4348; DSSTox_GSID_25560; 4-methoxyfuro[3,2-g]chromen-7-one; ZB002242; DTXSID1025560; NSC-755877; NCGC00091582-01; 5-methoxypsoralene; AX8014410; A827532; AJ-09777; ACon0_000984; Tox21_202357; HMS1923G13; FT-0603416; MEGxp0_000990; AC1L1DHU; MolPort-000-880-879; NSC-95437; 4CN-0945; NCI60_042121; BG01521510; 4-Methoxy-furo[3,2-g]chromen-7-one; NCGC00256998-01; AC-20189; CHEMBL24171; SPBio_000547; ACon1_001979; DSSTox_RID_77830; 7H-Furo[3, 4-methoxy-; SR-05000002173-2; Bergapten, analytical standard; SCHEMBL50066; 4-methoxy-7-furo[3,2-g][1]benzopyranone; Heraclin; C01557; Bio-0829; Spectrum4_001478; LS-1292; D0QR5G; Pharmakon1600-00300546; 5-Methoxyfuranocoumarin; MLS002454380; NCGC00017357-01; AN-9448 | C12H8O4 | 216.19 g/mol | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| TCMBANKIN061849 | 1-methoxy-4-(2-propenyl)-benzene | 4-Allylanisole;estragole;esdragol;Terragon;methylchavicol;CCRIS 1317; MolPort-000-156-967; MFCD00008653; Estragol (methylchavicol); DSSTox_CID_575; Anisole, p-allyl-; Esdragol; 1-allyl-4-methoxy-benzene; DTXSID0020575; 4-allylanisol; Methyl chavicole (estragole); p-Methoxyallylbenzene; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NCGC00091434-01; chavicyl methylether; CTK7A3557; Methyl chavicole; UNII-9NIW07V3ET; Estragol; SR-01000838348; 4-06-00-03817 (Beilstein Handbook Reference); Ether, p-allylphenyl methyl; NSC 404113; Tarragon; 140-67-0; DSSTox_RID_75667; O080; Chavicol methyl ether; Benzene, 1-methoxy, 4-prop-2-enyl; AK109291; FEMA No. 2411; p-Allylphenyl methyl ether; p-allylanisole, 4-allyl-1-methoxybenzene, methyl chavicol; Chavicol, O-methyl-; NSC-404113; CHEMBL470671; CCG-214642; 4-Allylanisole, analytical standard; FEMA 2411; 1-METHOXY-4-(2-PROPENYL)BENZENE; FEMA Number 2411; EPA Pesticide Chemical Code 062150; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; HMS2268E24; SMR000112379; p-Allylanisole; SPECTRUM1505117; 1-methoxy-4-(prop-2-en-1-yl)benzene; Chavicyl methyl ether; chavicol methylether; C10452; NCI-C60946; Allylphenyl methyl ether, p-; estragon;p-allylanisole; EINECS 205-427-8; AI3-16052; Esteragol; ZINC967635; 4-Allylanisole, purum, >=97.0% (GC); CHEBI:4867; 1407-27-8; Estragole (natural); NCGC00259936-01; MLS001065575; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; AC1Q4FE9; 1-Methoxy-4-(2-propen-1-yl)-Benzene; Methylchavicol; Chavicol, methyl-; p-Allyl-Anisole; ACMC-1BW75; KB-36193; 3-(p-Methoxyphenyl)propene; 1-methoxy-4-(2-propenyl)-benzene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; AKOS000121300; p-Allylmethoxybenzene; Methyl-Chavicol; AC1L1RR7; Tox21_302930; 3-(4-Methoxyphenyl)-1-propene; ST50824126; BRN 1099454; Isoanthethole; LS-821; Esdragon; ZFMSMUAANRJZFM-UHFFFAOYSA-N; I01-10181; Estragole, analytical standard; 9NIW07V3ET; O-Methyl-Chavicol; Terragon; 4-Allyl-1-methoxybenzene; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; HSDB 5412; 4-Allylanisole, 98%; Chavicyl methyl ether; AN-17349; 1-Methoxy-4-(2-propenyl)benzene, 9CI; A0702; 4-Allylanisole; para-allylanisole; AC1Q4CFH; SCHEMBL57204; WLN: 1U2R DO1; SR-01000838348-2; FT-0617414; J-007415; NCGC00091434-02; TC-109325; CAS-140-67-0; isoanethole, 4-Allylanisole; ANW-20580; 4-Methoxyallylbenzene; Tox21_202387; Estragole; NSC404113; Esdragole; 77525-18-9; AJ-24538; DSSTox_GSID_20575; NCGC00091434-03; Para-allylanisole (estragole); ZB015470; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1-Allyl-4-methoxybenzene; NCGC00256481-01; 4-Allylanisole, >=98%, FCC; 1-Methoxy-4-(2-propen-1-yl)benzene; Isoanethole;34098_RIEDEL; 3-(p-Methoxyphenyl)propene; InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H; 1-METHOXY-4-(2-PROPENYL)BENZENE; Anisole, p-allyl-; EPA Pesticide Chemical Code 062150; 1-allyl-4-methoxy-benzene; Esdragol; FEMA Number 2411; p-Allylmethoxybenzene; NCGC00091434-02; 4-Allylmethoxybenzene; Benzene, 1-methoxy-4-(2-propenyl)-; p-Methoxyallylbenzene; 4-Methoxyallylbenzene; BRN 1099454; WLN: 1U2R DO1; SPECTRUM1505117; p-Allylanisole; LS-821; Esdragon; NCGC00091434-01; Estragol; Chavicyl methyl ether; C10452; Estragole; 4-06-00-03817 (Beilstein Handbook Reference); NSC404113; Esdragole; NCI-C60946; NSC 404113; 77525-18-9; 4-Allyl-1-methoxybenzene; Tarragon; 140-67-0; Allylphenyl methyl ether, p-; HSDB 5412; EINECS 205-427-8; ZINC00967635; AI3-16052; Isoanethole; 1-methoxy-4-prop-2-enyl-benzene; A29208_ALDRICH; 05820_FLUKA; Chavicol methyl ether; 05818_FLUKA; BENZENE,1-ALLYL,4-METHOXY METHYLCHAVICOL; 1407-27-8; W241105_ALDRICH; Estragole (natural); 1-Allyl-4-methoxybenzene; FEMA No. 2411; 4-Allylanisole; 1-Methoxy-4-(2-propen-1-yl)benzene; Chavicol, O-methyl-; 1-methoxy-4-prop-2-enylbenzene; Methyl chavicol; Methylchavicol | C10H12O | 148.2 g/mol | COC1=CC=C(C=C1)CC=C |
植物对应的疾病
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植物对应的靶点
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