TCMBANKIN005282 |
HumuleneepoxideⅡ |
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TCMBANKIN006485 |
succinoa bietinolic acid |
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TCMBANKIN006534 |
25-hydroxy-3-epidehydrotumulosicacid |
25-hydroxy-3-epidehydrotumulosic acid |
C31H48O5 |
500.7 g/mol |
CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CC(C4C(CCC(=C)C(C)(C)O)C(=O)O)O)C)C)C)O)C |
TCMBANKIN006930 |
β-guaiene |
beta-guaiene; (+)-β-Guaiene |
C15H24 |
204.35 |
CC1CCC(=C(C)C)CC2=C1CCC2C |
TCMBANKIN009198 |
β-Ylangene |
beta-ylangene |
C15H24 |
204.35 g/mol |
CC(C)C1CCC2(C3C1C2C(=C)CC3)C |
TCMBANKIN010746 |
Aristoleneepoxide |
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C15H24O |
220.35 g/mol |
CC1CCCC23C1(C4C(C4(C)C)CC2O3)C |
TCMBANKIN012125 |
humulane-1,6-dien-3-ol |
Humulane-1,6-dien-3-ol |
C15H26O |
222.37 g/mol |
CC1CC(C=C(CCCC(C=C1)(C)C)C)O |
TCMBANKIN013787 |
beta-muurolene |
β-Muurolene |
C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
TCMBANKIN015667 |
cyclosativene |
(+)-cyclosativene; Cyclosativene; (+)-cycloisosativene; cycloiso sativene |
C15H24 |
204.35 |
CC(C)C1CCC2(C3C1C4C2(C4C3)C)C |
TCMBANKIN016537 |
5-Heptylrescorcinol |
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TCMBANKIN018102 |
isolongifolene |
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C15H24 |
204.35 g/mol |
CC1(CCC=C2C13CCC(C3)C2(C)C)C |
TCMBANKIN018806 |
conchiolin |
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C21H26O6 |
0 |
CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C)C(=O)OC |
TCMBANKIN019757 |
succoxyabietic acid |
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TCMBANKIN019815 |
beta-Gurjunene |
(1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-Decahydro-1,1,4-trimethyl-7-methylene-1H-cycloprop(e)azulene; 73464-47-8; beta-gurjunene; 1H-Cycloprop(e)azulene, decahydro-1,1,4-trimethyl-7-methylene-, (1aR-(1aalpha,4alpha,4abeta,7abeta,7balpha))-; β-gurjunene |
C15H24 |
204.35 |
CC1CCC2C(C2(C)C)C3C1CCC3=C |
TCMBANKIN022556 |
succinosilvic acid |
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TCMBANKIN029479 |
2-hepten-4-ol |
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C7H14O |
114.19 g/mol |
CCCC(C=CC)O |
TCMBANKIN030775 |
β-Cedrenen |
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TCMBANKIN031052 |
succinoresinol |
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TCMBANKIN032009 |
succinoabietol |
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TCMBANKIN034021 |
diabietinolic acid |
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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] |
TCMBANKIN038054 |
Isopiperitenone |
SCHEMBL707425; (r)-3-methyl-6-isopropenyl-2-cyclohexen-1-one; (6R)-isopiperitenone; C02485; (6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one; ZINC100065020; FT-0700057; IT9; CHEBI:15408; LMPR0102090009; (6R)-3-methyl-6-prop-1-en-2-yl-cyclohex-2-en-1-one; (-)-Isopiperitenone; AC1L97XQ; (4R)-p-mentha-1,8-dien-3-one; CTK3E9223; (-)-(4R)-Isopiperitenone; (6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one; 80995-97-7; (?)-Isopiperitenone |
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150.218 |
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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 |
TCMBANKIN058716 |
β-selinene |
ZINC8234293; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene eudesma-4(14),11-diene; .beta.-Eudesmene; CHEBI:10443; YOVSPTNQHMDJAG-QLFBSQMISA-N; Eudesma-4(14),11-diene; (4aR,7R,8aS)-4a-methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalene; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecahydronaphthalene; beta-selinene; CHEMBL2287242; beta-Selinene; eudesemene; 17066-67-0; beta-Eudesmene; BETA-SELINENE; beta-selinene ; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylene-decalin; (4aR,7R,8aS)-7-isopropenyl-4a-methyl-1-methylenedecalin; beta-selinene ; β- Selinene; (+)-beta-Selinene; (3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene; .beta.-Selinene; [4aR-(4aalpha,7alpha,8abeta)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; 7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene-, (4aR-(4a.alpha.,7.alpha.,8a.beta.))-; (4ar,7r,8as)-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-naphthalene; AC1L9CQH; (+)-.beta.-Selinene; LMPR0103190014; C09723; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]-;eudesma-4(14),11-diene; Eudesma-4(14), 11-diene;b-selinene;Eudesma-4(14),11-diene;Selinene;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylenedecalin;(4aS,7S,8aR)-7-isopropenyl-4a-methyl-1-methylene-decalin; 18423-23-9; Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, (4aR-(4aalpha,7alpha,8abeta))-; (3S,4aR,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
C15H24 |
204.35 g/mol |
CC(=C)C1CCC2(CCCC(=C)C2C1)C |
TCMBANKIN058766 |
3-Pentenal |
4-methyl-; 5362-50-5; 4-methylpent-3-enal; 4-METHYL-3-PENTENAL; 4-methyl; Pyroterebaldehyde; 3-pentenal |
C6H10O |
98.14 g/mol |
CC(=CCC=O)C |
TCMBANKIN058951 |
2-Pentanone,4-hydroxy-4-methyl- |
Diacetone-alcool [French]; 4-Hydroxy-4-methyl-pentan-2-on; Q7WP157PTD; Diacetonalcohol [Dutch]; ST51047025; 4-Hydroxy-4-methylpentanone; 2-Methyl-2-pentanol-4-one; Diacetonalkohol(german); NCGC00249012-01; J-515493; J-004939; 4474AA; HSDB 1152; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; CJ-26683; WLN: QX1 & 1 & 1V1; AC1L1L91; Dimethyl acetonyl carbinol; CHEBI:55381; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; 123-42-2; NSC 9005; SCHEMBL28494; Tox21_201266; BG00599981; Pyranton A; 2-pentanone, 4-hydroxy-4-methyl; Acetonyldimethylcarbinol; CTK0H6771; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH); 4-Hydroxy-2-keto-4-methylpentane; AKOS005721167; SWXVUIWOUIDPGS-UHFFFAOYSA-N; Diacetonalcool; AJ-28761; FT-0624587; Diacetonalkohol; MolPort-001-779-725; CJ-05952; Diacetonalkohol [German]; 4-Methyl-4-hydroxy-2-pentanone; NCGC00258818-01; S14-1442; KS-00000WT8; RTR-003687; Diketone alcohol; F0001-0366; BRN 1740440; 4-Hydroxy-4-methyl pentan-2-one; CCRIS 6177; LS-681; SBB009084; Jsp001572; (CH3)2C(OH)CH2C(O)CH3; DSSTox_RID_77580; DSSTox_GSID_24917; 2-Pentanone, 4-hydroxy-4-methyl-; 4-Hydroxy-4-methylpentan-2-one; 4-methyl-4-oxidanyl-pentan-2-one; AC1Q1K47; 2-Hydroxy-2-methyl-4-pentanone; Pentanone, 4-hydroxy-4-methyl-; CAS-123-42-2; ANW-61448; AK-41308; MCULE-2623560163; TR-003687; NCGC00257419-01; Diacetone alcohol; Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; BB_NC-2286; AN-43481; 4-Hydroxy-4-methyl-2-pentanone, analytical standard; UN 1148; BBL027463; 4-01-00-04023 (Beilstein Handbook Reference); Tyranton; 4-Idrossi-4-metil-pentan-2-one; ZINC1648359; EINECS 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; 2-Methyl-3-pentanol-4-one; KSC176O7D; RL01069; NSC-9005; 171962-EP2281810A1; Tox21_303479; Pyraton; 4-Hydroxy-4-methyl-2-pentanone, 99%; Hydroxy-4-methyl-2-pentanone; ACMC-1BVXG; MFCD00004471; 4-hydroxy-4-methyl-pentan-2-one; UNII-Q7WP157PTD; Diacetone-alcool; CHEMBL3182048; 4-Hydroxy-4-methylpentanone-2; NSC9005; LMFA12000071; EPA Pesticide Chemical Code 033901; 4-Methyl-2-pentanon-4-ol; KB-39088; Diacetonealcool; Caswell No. 280; 4-hydroxy4-methyl-2-pentanone; STL146354; UN1148; Pyranton; A805073; EC 204-626-7; Diacetone alcohol [UN1148] [Flammable liquid]; Diacetonyl alcohol; DTXSID6024917; Diacetonalcool [Italian]; AI3-00045; 4-HYDROXY-4-METHYL-2-PENTANONE; DSSTox_CID_4917; SC-80179; Diacetonalcohol; Diacetone-alcool [French]; 2-Pentanone, 4-hydroxy-4-methyl-; Acetonyldimethylcarbinol; ZINC01648359; 4-Hydroxy-4-methyl-pentan-2-on; 4-Hydroxy-4-methylpentan-2-one; H41544_ALDRICH; InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H; 31450_FLUKA; 4-hydroxy-4-methyl-pentan-2-one; 2-Hydroxy-2-methyl-4-pentanone; 4-Hydroxy-2-keto-4-methylpentane; Diacetone-alcool; Diacetonalcohol [Dutch]; 4-Hydroxy-4-methylpentanone-2; 4-Hydroxy-4-methylpentanone; NSC9005; 2-Methyl-2-pentanol-4-one; EPA Pesticide Chemical Code 033901; 24220_RIEDEL; Diacetonalcool; Caswell No. 280; 4-Hydroxy-4-methyl-2-pentanone; UN1148; Diacetonalkohol; Pyranton; Diacetonalkohol [German]; HSDB 1152; Diacetone alcohol; Diacetonyl alcohol; Diacetone; 4-Idrossi-4-metil-pentan-2-one [Italian]; WLN: QX1 & 1 & 1V1; Diacetonalcool [Italian]; Dimethyl acetonyl carbinol; AI3-00045; 4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]; Diketone alcohol; 4-01-00-04023 (Beilstein Handbook Reference); Diacetone alcohol [UN1148] [Flammable liquid]; 4-Idrossi-4-metil-pentan-2-one; EINECS 204-626-7; 123-42-2; 4-Hydroxy-4-methyl pentan-2-one; BRN 1740440; CCRIS 6177; NSC 9005; SBB009084; Diacetonalcohol; Pyranton A; Tyranton; 4-hydroxy-4-methyl-2-pentanone |
C6H12O2 |
116.16 g/mol |
CC(=O)CC(C)(C)O |
TCMBANKIN059353 |
citronellal |
LMPR0102010007; 6-Octenal,3,7-dimethyl-,(3R)-; NEHNMFOYXAPHSD-SNVBAGLBSA-N; 6-Octenal,3,7-dimethyl-,(3R)-; d-citronellal; (R)-(+)-3,7-Dimethyl-6-octenal; FT-0604386; SCHEMBL457495; 3,7-Dimethyl-(3R)-6-Octenal; 6-octenal,3,7-dimethyl-,(3r)-; (R)-3,7-Dimethyloct-6-enal; 7-dimethyl-(theta)-6-octena; ()-Citronellal; EINECS 219-194-5; (R)-(+)-Citronellal; CHEBI:299; (R)-3,7-dimethyl-6-octenal; C09848; 2385-77-5; (+)-Citronellal; (3R)-3,7-dimethyloct-6-enal; AC1L2OQO; AC1Q6PO2; Citronella Java Oil; (3R)-3,7-Dimethyloct-6-enal (6-Octenal,3,7-dimethyl-,(3R)-); R-3,7-dimethyl-oct-6-enal; (3R)-(+)-citronellal; 6-Octenal,3,7-dimethyl-,(theta)-; EC 219-194-5; CCG-214393; (R)-(+)-Citronellal,technical grade,90%; 951036-03-6; AC1Q29GM; DTXSID6044482; 6-octenal,3,7-dimethyl-,(r)-; 6-Octenal,3,7-dimethyl-,(R)-; (r)-3,7-dimethyl-oct-6-enal; L-(-)-Citronellal; 3,7-Dimethyl-(3S)-6-Octenal; CHEMBL1081721; CTK8F2012; AC1Q29GL; CJ-24100; L-Citronellal; MFCD00067089; AKOS025311453; A801397; FT-0699573; ZINC1531600; (R)-citronellal; (3R)-3,7-Dimethyl-6-octenal; s-(-)-citronellal; UNII-QB99VZZ7GZ component NEHNMFOYXAPHSD-SNVBAGLBSA-N; 3,7-Dimethyl-6-octenal,(3R)-; 3,7-Dimethyl-(S)-6-Octenal; Citronellol 96%; (R)-(+)-Citronellal; CHEBI:299; 106-23-0; (R)-3,7-dimethyl-6-octenal; LMPR01020055; 2385-77-5; C09848; 343641_ALDRICH; 6-Octenal,3,7-dimethyl-,(3R)-; (3R)-3,7-dimethyloct-6-enal; ZINC01531600; (3R)-3,7-dimethyl-6-octenal; (3R)-(+)-citronellal; 6-Octenal,3,7-dimethyl-,(theta)-; (R)-3,7-Dimethyloct-6-enal; EINECS 219-194-5 |
C10H18O |
154.25 |
CC(CCC=C(C)C)CC=O |
TCMBANKIN059521 |
B- pinene;pinene;T-pinene;(-)-nopinene;beta-pinene;bicyclo[3.1.1]heptane,6,6-dimethyl-2-methylene-,(1s);1-β-pinene;()-beta-Pinene;(-)- β- pinene;laevo- β- Pinene |
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C10H16 |
136.23 g/mol |
CC1(C2CCC(=C)C1C2)C |
TCMBANKIN059531 |
eucalyptol |
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C10H18O |
154.25 g/mol |
CC1(C2CCC(O1)(CC2)C)C |
TCMBANKIN059905 |
p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene |
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C10H14 |
134.22 g/mol |
CC1=CC=C(C=C1)C(C)C |
TCMBANKIN059962 |
cadinen;α-Cadinene;1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene;1,2,4A,5,6,8A-hexahydro--4,7-dimethyl-(1-methylethyl)-naphthalene;muurolene;1,2,4a,5,6,8a- hexhydro- 4,7- dimethyl- 1-(1- methylethyl)-(1alpha 4a. alpha.,8a alpha. )- naphthalene;alpha cadinene;α-muurolene |
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C15H24 |
204.35 g/mol |
CC1=CC2C(CC1)C(=CCC2C(C)C)C |
TCMBANKIN059976 |
humulene |
|
C15H24 |
204.35 g/mol |
CC1=CCC(C=CCC(=CCC1)C)(C)C |
TCMBANKIN059980 |
4-methyl-1-isopropyl-3-cyclohexen-1-ol |
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C10H18O |
154.25 g/mol |
CC1=CCC(CC1)(C(C)C)O |
TCMBANKIN059987 |
alpha-bisabolol |
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C15H26O |
222.37 |
CC1=CCC(CC1)C(C)(CCC=C(C)C)O |
TCMBANKIN060004 |
cadinene |
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C15H24 |
204.35 g/mol |
CC1=CCC2C(C1)C(CC=C2C)C(C)C |
TCMBANKIN060009 |
copaene; (-)-Alpha-Copaene; α-copaene |
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C15H24 |
204.35 g/mol |
CC1=CCC2C3C1C2(CCC3C(C)C)C |
TCMBANKIN060014 |
Germacrene D |
|
C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C=CC(CC1)C(C)C |
TCMBANKIN060015 |
9-epi-(E)-caryophyllene |
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C15H24 |
204.35 g/mol |
CC1=CCCC(=C)C2CC(C2CC1)(C)C |
TCMBANKIN060460 |
b-Cubebene |
|
C15H24 |
204.35 g/mol |
CC1CCC(C2C13C2C(=C)CC3)C(C)C |
TCMBANKIN060469 |
Valencen |
|
C15H24 |
204.35 g/mol |
CC1CCC=C2C1(CC(CC2)C(=C)C)C |
TCMBANKIN060734 |
3-Ethyltoluene |
|
C9H12 |
120.19 g/mol |
CCC1=CC=CC(=C1)C |