> Alkaloids and derivatives / Lupin alkaloids / Anagyrine-type alkaloids
|
(+)-Thermopsine
|
682648 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1S,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
12299978 |
Click to see
C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O
|
260.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
12-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
|
621307 |
Click to see
C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O
|
260.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
Anagyrine
|
5351589 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
Thermopsine
|
92768 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CC=CC4=O
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
> Alkaloids and derivatives / Lupin alkaloids / Cytisine and derivatives
|
(-)-Cytisine
|
22407 |
Click to see
C1C2CNCC1C3=CC=CC(=O)N3C2
|
190.24 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1R)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
|
1278189 |
Click to see
CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
204.27 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1S,9R)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
|
7067420 |
Click to see
C=CCCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
|
683511 |
Click to see
C1C2CNCC1C3=CC=CC(=O)N3C2
|
190.24 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(3-butenyl)-1,2,3,4,5,6-hexahydro-, (1R)-
|
547355 |
Click to see
C=CCCN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
244.33 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
Cytisine, N-formyl-
|
589870 |
Click to see
C1C2CN(CC1C3=CC=CC(=O)N3C2)C=O
|
218.25 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
N-Formylcytisine, (-)-
|
6604689 |
Click to see
C1C2CN(CC1C3=CC=CC(=O)N3C2)C=O
|
218.25 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
N-Methylcytisine
|
234566 |
Click to see
CN1CC2CC(C1)C3=CC=CC(=O)N3C2
|
204.27 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
> Alkaloids and derivatives / Lupin alkaloids / Sparteine, lupanine, and related alkaloids
|
(-)-Sparteine
|
3966 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4
|
234.38 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1R,2R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
163184988 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
6575009 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
|
51018075 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1R,9R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
|
163185252 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
(1S,2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
|
1492637 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
5,6-Dehydrolupanine
|
520559 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3=CCCC4=O
|
246.35 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
alpha-Isolupanine
|
119201 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4=O
|
248.36 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
Sparteine
|
644020 |
Click to see
C1CCN2CC3CC(C2C1)CN4C3CCCC4
|
234.38 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty alcohols
|
1-Hexacosanol
|
68171 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCO
|
382.70 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
1-Octacosanol
|
68406 |
Click to see
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
|
410.80 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids
|
[(2R,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
|
15917607 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC1(C(O1)CO)C
|
312.50 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
Oxiranemethanol, 3-methyl-3-(4,8,12-trimethyltridecyl)-
|
10990611 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC1(C(O1)CO)C
|
312.50 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Acyclic diterpenoids
|
(2S,7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
|
124413846 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=C)C(CO)O
|
312.50 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
1,2-Hexadecanediol, 7,11,15-trimethyl-3-methylene-
|
10638889 |
Click to see
CC(C)CCCC(C)CCCC(C)CCCC(=C)C(CO)O
|
312.50 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids
|
3,7,11-trimethyl-(2Z,6E)-2,6,10-dodecatrienoic acid
|
15559241 |
Click to see
CC(=CCCC(=CCCC(=CC(=O)O)C)C)C
|
236.35 |
unknown |
via CMAUP database |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
86821 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
Beta-Sitosterol
|
222284 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
beta-Sitosterol 3-O-beta-D-galactopyranoside
|
296119 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
Sitogluside
|
5742590 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
> Organoheterocyclic compounds / Benzofurans
|
6-Hydroxy-4,4,7a-trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
|
14334 |
Click to see
CC1(CC(CC2(C1=CC(=O)O2)C)O)C
|
196.24 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
Loliolide
|
100332 |
Click to see
CC1(CC(CC2(C1=CC(=O)O2)C)O)C
|
196.24 |
unknown |
https://doi.org/10.1007/S10600-010-9477-9 |
> Organoheterocyclic compounds / Heteroaromatic compounds
|
Strictic acid
|
5469447 |
Click to see
CC1CCC(=C)C(=CC=CCC1(C)CCC2=COC=C2)C(=O)O
|
314.40 |
unknown |
via CMAUP database |
> Organoheterocyclic compounds / Pyridines and derivatives / Hydropyridines / Tetrahydropyridines
|
Ammodendrine
|
442625 |
Click to see
CC(=O)N1CCCC(=C1)C2CCCCN2
|
208.30 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-
|
108191 |
Click to see
CC(=O)N1CCCC(=C1)C2CCCCN2
|
208.30 |
unknown |
https://doi.org/10.1016/0031-9422(82)80132-5 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Scopoletin
|
5280460 |
Click to see
COC1=C(C=C2C(=C1)C=CC(=O)O2)O
|
192.17 |
unknown |
https://doi.org/10.1021/NP900144C https://doi.org/10.1007/S10600-010-9477-9 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Flavanones
|
3',4',7-Trihydroxyflavanone
|
3496769 |
Click to see
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
|
272.25 |
unknown |
https://doi.org/10.1021/NP900144C |
Butin
|
92775 |
Click to see
C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O
|
272.25 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Flavonoids / Flavones
|
7,3',4'-Trihydroxyflavone
|
5322065 |
Click to see
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C=C3)O)O)O
|
270.24 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Flavonoids / O-methylated flavonoids / 8-O-methylated flavonoids
|
5,7-Dihydroxy-3,4',8-trimethoxyflavone
|
13916278 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC
|
344.30 |
unknown |
via CMAUP database |
Conyzatin
|
13916282 |
Click to see
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC
|
404.40 |
unknown |
via CMAUP database |
Flindulatin
|
5466138 |
Click to see
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC
|
358.30 |
unknown |
via CMAUP database |
> Phenylpropanoids and polyketides / Isoflavonoids / Furanoisoflavonoids / Pterocarpans
|
(+)-Maackiain
|
161298 |
Click to see
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
284.26 |
unknown |
https://doi.org/10.1021/NP900144C |
3-Hydroxy-8,9-methylenedioxypterocarpane
|
363863 |
Click to see
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
284.26 |
unknown |
https://doi.org/10.1021/NP900144C |
Maackiain
|
91510 |
Click to see
C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
|
284.26 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
7,8,4'-Trihydroxyisoflavone
|
5466139 |
Click to see
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
|
270.24 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanols
|
(3R)-3-[(5R,6R)-4,6-dimethoxy-5-(3-methylbut-2-enyl)cyclohexa-1,3-dien-1-yl]-3,5,7-trihydroxy-2H-chromen-4-one
|
163071343 |
Click to see
CC(=CCC1C(C(=CC=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
402.40 |
unknown |
https://doi.org/10.1021/NP900144C |
3-[4,6-dimethoxy-5-(3-methylbut-2-enyl)cyclohexa-1,3-dien-1-yl]-3,5,7-trihydroxy-2H-chromen-4-one
|
163071342 |
Click to see
CC(=CCC1C(C(=CC=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
402.40 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 3-prenylated isoflavanones
|
(3S)-3,5,7-trihydroxy-3-[(2R)-2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-2H-chromen-4-one
|
162844672 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)CO
|
400.40 |
unknown |
https://doi.org/10.1021/NP900144C |
(3S)-3,5,7-trihydroxy-3-[(2S)-2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-2H-chromen-4-one
|
162844671 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)CO
|
400.40 |
unknown |
https://doi.org/10.1021/NP900144C |
3,5,7-trihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2H-chromen-4-one
|
56674357 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2O)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
|
370.40 |
unknown |
https://doi.org/10.1021/NP900144C |
3,5,7-trihydroxy-3-[2-(hydroxymethyl)-5-methoxy-2-methylchromen-6-yl]-2H-chromen-4-one
|
56671411 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)CO
|
400.40 |
unknown |
https://doi.org/10.1021/NP900144C |
3,5,7-trihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2H-chromen-4-one
|
101938052 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=C(C2=O)C(=C(C(=C3)O)CC=C(C)C)O)O)O)C
|
454.50 |
unknown |
https://doi.org/10.1021/NP900144C |
3,5,7-trihydroxy-3-[5-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-2H-chromen-4-one
|
56661149 |
Click to see
CC(=CCC1=C(C(=CC(=C1OC)O)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
416.40 |
unknown |
https://doi.org/10.1021/NP900144C |
Sophoronol
|
15138471 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
|
384.40 |
unknown |
https://doi.org/10.1021/NP900144C |
sophoronol A
|
44233679 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2O)C3(COC4=CC(=CC(=C4C3=O)O)O)O)C
|
370.40 |
unknown |
https://doi.org/10.1021/NP900144C |
sophoronol B
|
44233683 |
Click to see
CC1(C=CC2=C(O1)C=CC(=C2OC)C3(COC4=CC(=CC(=C4C3=O)O)O)O)CO
|
400.40 |
unknown |
https://doi.org/10.1021/NP900144C |
Sophoronol D
|
44233681 |
Click to see
CC(=CCC1=C(C(=CC(=C1OC)O)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
416.40 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavans / Isoflavanones / 8-prenylated isoflavanones
|
(3S)-3,5-dihydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)-8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-4-one
|
163104438 |
Click to see
CC1(CCC2=C(O1)C=C(C3=C2OCC(C3=O)(C4=C(C5=C(C=C4)OC(C=C5)(C)C)OC)O)O)C
|
452.50 |
unknown |
https://doi.org/10.1021/NP900144C |
3-[2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2H-chromen-4-one
|
56681000 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)OC)C
|
468.50 |
unknown |
https://doi.org/10.1021/NP900144C |
3,5-dihydroxy-3-(5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-8,8-dimethyl-9,10-dihydro-2H-pyrano[2,3-h]chromen-4-one
|
56667689 |
Click to see
CC1(CCC2=C(O1)C=CC(=C2OC)C3(COC4=C(C3=O)C(=CC5=C4CCC(O5)(C)C)O)O)C
|
454.50 |
unknown |
https://doi.org/10.1021/NP900144C |
3,5-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)-2H-chromen-4-one
|
56663981 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC)O)O)O)C
|
468.50 |
unknown |
https://doi.org/10.1021/NP900144C |
Sophoronol C
|
44233680 |
Click to see
CC1(CCC2=C(O1)C=CC(=C2OC)C3(COC4=C(C3=O)C(=CC5=C4CCC(O5)(C)C)O)O)C
|
454.50 |
unknown |
https://doi.org/10.1021/NP900144C |
Sophoronol E
|
44233935 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)OC)C
|
468.50 |
unknown |
https://doi.org/10.1021/NP900144C |
Sophoronol F
|
44233682 |
Click to see
CC(=CCC1=C(C=CC(=C1OC)C2(COC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC)O)O)O)C
|
468.50 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Isoflavonoids / O-methylated isoflavonoids / 4-O-methylated isoflavonoids
|
3-[2,4-dimethoxy-3-(3-methylbut-2-en-2-yl)phenyl]-3,5,7-trihydroxy-2H-chromen-4-one
|
45270698 |
Click to see
CC(=C(C)C1=C(C=CC(=C1OC)C2(COC3=CC(=CC(=C3C2=O)O)O)O)OC)C
|
400.40 |
unknown |
https://doi.org/10.1021/NP900144C |
> Phenylpropanoids and polyketides / Linear 1,3-diarylpropanoids / Chalcones and dihydrochalcones / 2-Hydroxychalcones
|
GU17;ISL;Isoliquiritigen
|
425 |
Click to see
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
|
256.25 |
unknown |
https://doi.org/10.1021/NP900144C |
Trihydroxychalcone
|
638278 |
Click to see
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
|
256.25 |
unknown |
https://doi.org/10.1021/NP900144C |