TCMBANKIN003598 |
dihydrovalepotriate |
AC1NSULW; [(1S,7S)-6-acetyloxy-4-(3-methylbutanoyloxymethyl)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-1-yl] 4-methylpentanoate |
C22H32O8 |
424.5 g/mol |
CC(C)CC(=O)OCC1=COC(C2C1CC(C23CO3)OC(=O)C)OC(=O)CC(C)C |
TCMBANKIN011153 |
Linarin isovalerate |
3-methylbutyric acid [(2R,3R,4R,5S,6S)-2-[[(2S,4S,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-4-keto-2-(4-methoxyphenyl)chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl] ester; [(2R,3R,4R,5S,6S)-2-[[(2S,4S,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-oxan-2-yl]methoxy]-3,5-dihydroxy-6-methyl-oxan-4-yl] 3-methylbutanoate; [(2R,3R,4R,5S,6S)-2-[[(2S,4S,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]-3,5-dihydroxy-6-methyl-tetrahydropyran-4-yl] 3-methylbutanoate; [(2R,3R,4R,5S,6S)-2-[[(2S,4S,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl] 3-methylbutanoate; 3-methylbutanoic acid [(2R,3R,4R,5S,6S)-2-[[(2S,4S,5R,6S)-4,5-dihydroxy-6-[[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-7-chromenyl]oxy]-2-tetrahydropyranyl]methoxy]-3,5-dihydroxy-6-methyl-4-tetrahydropyranyl] ester; AC1NSXKW; linarin isovalerate |
|
660.73 |
CC1C(C(C(C(O1)OCC2CC(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)OC(=O)CC(C)C)O |
TCMBANKIN015354 |
l-valine-l-valine anhydride |
(2-amino-3-methylbutanoyl) 2-amino-3-methylbutanoate; AC1NSSRO |
|
|
CC(C)C(C(=O)OC(=O)C(C(C)C)N)N |
TCMBANKIN015923 |
valerosidatum |
|
C21H34O11 |
462.5 g/mol |
CC(C)CC(=O)OC1C2C(CC(C2(C)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O |
TCMBANKIN015977 |
Chlorogenin |
(25R)-5alpha-spirostan-3beta,6alpha-diol; chlorogenin; LMST01080086 |
C27H44O4 |
432.64 |
CCC1C(CC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OC5(CCC(CO5)C)C |
TCMBANKIN016871 |
macedonicacid |
macedonic acid |
C30H46O4 |
470.7 g/mol |
CC1(C2CCC3(C(C2(CCC1O)C)C=CC4=C5CC(C(CC5(CCC43C)C)O)(C)C(=O)O)C)C |
TCMBANKIN017778 |
acevaltratum |
|
C24H32O10 |
480.5 g/mol |
CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
TCMBANKIN019472 |
valepotriate |
|
C22H30O8 |
422.5 g/mol |
CC(C)CC(=O)OC1C=C2C(C13CO3)C(OC=C2COC(=O)C)OC(=O)CC(C)C |
TCMBANKIN020522 |
valeranone |
LS-95105; HDVXJTYHXDVWQO-NWANDNLSSA-N; (4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one; (4aalpha,7beta,8aalpha)-Octahydro-4a,8a-dimethyl-7-(1-methylethyl)-1(2H)-naphthalenone; AC1L57JT; 55528-90-0; (4AR,7S,8AS)-7-ISOPROPYL-4A,8A-DIMETHYL-HEXAHYDRO-2H-NAPHTHALEN-1-ONE; 1803-39-0; Valeranone; C16813; CHEBI:80748; Yatamanson |
C15H26O |
222.37 g/mol |
CC(C)C1CCC2(CCCC(=O)C2(C1)C)C |
TCMBANKIN027228 |
(+)-Maalioxide |
(-)-Maalioxide; 2H-Naphtho(1,8-bc)furan, decahydro-2,2,5a,8a-tetramethyl-, (2aS-(2aalpha,5aalpha,8aalpha,8bbeta))-; 53625-18-6; (+)-maalioxide |
C15H26O |
222.37 |
CC1(C2CCCC3(C2C(O1)(CCC3)C)C)C |
TCMBANKIN027265 |
10-acetoxy-1-homovaltratehydrin |
|
C25H36O10 |
|
|
TCMBANKIN029598 |
10-acetoxy-1-acevaltratehydrin |
|
C26H36O12 |
|
CC(C)CC(=O)OC1C=C2C(C1(COC(=O)C)O)C(OC=C2COC(=O)C)OC(=O)CC(C)(C)OC(=O)C |
TCMBANKIN037335 |
1-homoacevaltrate |
|
C25H34O10 |
494.5 g/mol |
CCC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
TCMBANKIN038258 |
Isovaltrate |
|
|
422.5 g/mol |
|
TCMBANKIN038431 |
didrovaltratum |
|
C22H32O8 |
424.5 g/mol |
CC(C)CC(=O)OCC1=COC(C2C1CC(C23CO3)OC(=O)C)OC(=O)CC(C)C |
TCMBANKIN040054 |
Cynanuriculoside A |
cynanuriculoside a |
C55H88O21 |
1085.43 |
[C@@]1([H])(O[C@@]2([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]3([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@]4([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(O[C@@
]5([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])O[H])O5)[C@@]([H])(C([H])([H])[H])O4)[C@@]([H])(C([H])([H])[H])O3)[C@@]([H])(C([H])([H])[H])O2)C([H])([H])C([H])([H])[C@@]6(C
([H])([H])[H])C(=C([H])C([H])([H])[C@]7(O[H])[C@]6([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(/C([H])([H])[H])\C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([C@@]([H])(O[H])C([H])([H])C8([H])[H])(C([H])([
H])C(=O)C([H])([H])[H])[C@@]78O[H])C1([H])[H] |
TCMBANKIN041402 |
chlorogenic acid |
3-methyl-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid; 4-prop-1-enylbenzene-1,2-diol; A821421; 4-prop-1-enylbenzene-1,2-diol; 1,3,4-trihydroxy-5-methyl-1-cyclohexanecarboxylic acid; chlorogenic acid ; Chlorogenic acid; chlorogenicacid |
C16H18O9 |
354.309 |
C1([H])([H])[C@](C(O[H])=O)(O[H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C([H])/c2c([H])c([H])c(O[H])c(O[H])c2[H])[C@]([H])(O[H])[C@@]1([H])O[H] |
TCMBANKIN041896 |
acevaltrate |
|
C24H32O10 |
480.5 g/mol |
CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C |
TCMBANKIN048712 |
1-homoisoacevaltrate |
|
C25H34O10 |
494.5 g/mol |
CCC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)C)C(=CO1)COC(=O)C(C(C)C)OC(=O)C |
TCMBANKIN049914 |
11-Homohydroxyldidrovaltrate |
|
|
|
|
TCMBANKIN058114 |
trans-caffeic acid |
3-(3,4-dihydroxy-phenyl)-acrylic acid; caffeic acid; Caffeate; Lopac-C-0625; 71693-97-5; DivK1c_006624; KBio2_007302; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NCGC00015206-02; CAS-3331-39-5; 60020_FLUKA; AI3-63211; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid polymer; (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; NSC623438; 4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene; KBio2_004734; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; CHEMBL1320034; AIDS-002287; AIDS002287; 501-16-6; CHEBI:36281; Prestwick1_000902; KBio1_001568; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid; AKOS000273846; OR1165; SMR000058214; Spectrum2_001612; 3,4-dihydroxycinnamate; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeicacid; KOP; AC1NO658; CCRIS 847; Caffeic acid dehydrogenation homopolymer; SPECTRUM1503987; Spectrum4_001694; SCHEMBL3682144; NCGC00017364-01; NCGC00022654-08; 4-(2-Carboxyethenyl)-1,2-dihydroxybenzene; 78734C5A-1281-44D4-B8A0-A3188AD437E3; cis-Caffeic acid; 3-(3,4-dihydroxyphenyl)acrylic acid; Cinnamic acid, 3,4-dihydroxy-; KBioGR_001988; 3,4-Dihydroxybenzeneacrylic acid; 3,4-dihydroxycinnamic acid; trans-caffeic acid; AIDS-026339; NCGC00015206-01; HSDB 7088; ZINC4482687; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; 3-(3,4-dihydroxyphenyl)prop-2-enoate; Isocaffeic acid; SBB006475; InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2; NCGC00017364-02; EU-0100208; C01197; MolPort-001-759-162; KBioSS_002166; Caffeic acid pure; caffeic acid ; trans-Caffeate; (2E)-3-(3,4-dihydroxyphenyl)acrylic acid; NSC 57197; (2E)-3-(3,4-Dihydroxyphenyl)-2-propenoic acid; Spectrum_001686; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (E)-; KBio2_002166; Caffeic acid, cis-; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-; 3,4-Dihydroxybenzeneacrylate; 3-(3,4-Dihydroxy phenyl)-2-propenoic acid; 4361-87-9; 3,4-Dihydroxy-trans-cinnamate; caffeicacid; AR-360/40806927; EINECS 206-361-2; 60018_FLUKA; Caffeic acid polymer; (E)-3-(3,4-dihydroxyphenyl)acrylic acid; NCGC00022654-04; ZX-AL002121; C0625_SIGMA; SDCCGMLS-0002982.P003; 3-(3,4-Dihydroxyphenyl)-2-propenoic acid, homopolymer; SPBio_001643; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)- (9CI); NCGC00017364-03; 3-(3,4-dihydroxyphenyl)prop-2-enoic acid; AC1LU7RL; SPBio_002943; CHEBI:16433; AIDS026339; 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, homopolymer; CHEBI:17395; TNP00311; SpecPlus_000528; Prestwick0_000902; MLS000069738; 3,4-dihydroxy-cinnamic acid; 3-(3,4-Dihydroxyphenyl)propenoic acid; NCI60_004400; NSC57197; Caffeic; Lopac-C-0625; NCGC00015206-01; Caffeic acid; cis-Caffeic acid; NCGC00017364-01; (Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; C01481; 331-39-5; NCGC00015206-02; CAS-3331-39-5; 3,4-Dihydroxycinnamic acid; CHEBI:17395; (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid; TNP00311; (Z)-3-(3,4-dihydroxyphenyl)acrylic acid; Caffeate; 1- coffee acid |
C9H8O4 |
180.16 g/mol |
C1=CC(=C(C=C1C=CC(=O)O)O)O |
TCMBANKIN059503 |
maali alcohol |
|
C15H26O |
222.37 g/mol |
CC1(C2C1C3C(CCCC3(C)O)(CC2)C)C |
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 |
|
C10H16 |
136.23 g/mol |
CC1(C2CCC(=C)C1C2)C |
TCMBANKIN059533 |
borneol |
|
C10H18O |
154.25 g/mol |
CC1(C2CCC1(C(C2)O)C)C |
TCMBANKIN059905 |
p-isopropyltoluene;4-Isopropyltoluene;cymene;1-methyl-4-(1-methylethyl)benzene;Cymol;Para cymene;4-Cymol;p-cymene;Dolcymene |
|
C10H14 |
134.22 g/mol |
CC1=CC=C(C=C1)C(C)C |
TCMBANKIN059982 |
d-limonene |
|
C10H16 |
136.23 g/mol |
CC1=CCC(CC1)C(=C)C |
TCMBANKIN060271 |
acacetin-7-O-rutinoside |
|
C28H32O14 |
592.5 g/mol |
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O |
TCMBANKIN060566 |
β-patchoulene |
|
C15H24 |
204.35 |
CC1CCC2=C1CC3CCC2(C3(C)C)C |
TCMBANKIN060967 |
methyl icos-11-enoate |
|
C21H40O2 |
324.5 g/mol |
CCCCCCCCC=CCCCCCCCCCC(=O)OC |
TCMBANKIN061106 |
Methyl icosanoate |
|
C21H42O2 |
326.56 |
CCCCCCCCCCCCCCCCCCCC(=O)OC |