> Alkaloids and derivatives / Aporphines
|
1,2-Methylenedioxynoraporphine
|
3462225 |
Click to see
C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
|
265.31 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
15,16-Dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,13(17),14-heptaen-14-ol
|
15765754 |
Click to see
CN1CCC2=C3C1=CC4=CC=CC=C4C3=C(C(=C2O)OC)OC
|
309.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
7-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
|
10085866 |
Click to see
COC1=C2C(=C3C4=CC=CC=C4CC5C3=C1CCN5)OCO2
|
295.30 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
Anonaine
|
160597 |
Click to see
C1CNC2CC3=CC=CC=C3C4=C2C1=CC5=C4OCO5
|
265.31 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
Liriodenine
|
10144 |
Click to see
C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53
|
275.26 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
Lysicamine
|
122691 |
Click to see
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC
|
291.30 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
Norstephalagine
|
133381 |
Click to see
COC1=C2C(=C3C4=CC=CC=C4CC5C3=C1CCN5)OCO2
|
295.30 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty amides / N-acyl amines
|
n-Isobutyl-2,4-decadienamide
|
3009280 |
Click to see
CCCCCC=CC=CC(=O)NCC(C)C
|
223.35 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
Pellitorine
|
5318516 |
Click to see
CCCCCC=CC=CC(=O)NCC(C)C
|
223.35 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Lipids and lipid-like molecules / Fatty Acyls / Lineolic acids and derivatives
|
[(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] (9Z,12Z)-octadeca-9,12-dienoate
|
101925114 |
Click to see
CCCCCC=CCC=CCCCCCCCC(=O)OCC(C1=CNC2=C1C=CC(=C2)CC=C(C)C)C(C)(C)O
|
549.80 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Lipids and lipid-like molecules / Prenol lipids / Diterpenoids / Kaurane diterpenoids
|
(1S,2R,3R,5R,8R,9R,10R,11S,15R,16R)-3,9,10,15-tetrahydroxy-12,12-dimethyl-16-(3-methylbutoxy)-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
|
162844654 |
Click to see
CC(C)CCOC1C23C(CCC(C2C(C(O1)(C45C3C(CC(C4)C(=C)C5=O)O)O)O)(C)C)O
|
450.60 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Furospirostanes and derivatives
|
(1S,2S,3'S,4R,6R,7R,8R,9S,11S,12S,13S,16R,18S)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-oxolane]-7,11,16-triol
|
162927396 |
Click to see
CC1CC2(C(C3C(O2)CC4C3(CC(C5C4CCC6C5(CCC(C6)O)C)O)C)(C)O)OC1(C)C
|
462.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(6beta,24R)-6-Hydroxystigmast-4-en-3-one
|
14769504 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)O)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
122544 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
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/10.1016/0031-9422(95)00333-3 |
24-Ethylcholest-5-en-3beta-ol
|
22012 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
414.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
6beta-Hydroxystigmast-4-en-3-one
|
9823926 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)O)C)C(C)C
|
428.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
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/10.1016/0031-9422(95)00333-3 |
Stigmasterol
|
5280794 |
Click to see
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
|
412.70 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Amino acids and derivatives / Beta amino acids and derivatives
|
Negamycin
|
11118411 |
Click to see
CN(CC(=O)O)NC(=O)CC(CC(CN)O)N
|
248.28 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / N-acyl-alpha amino acids
|
4-amino-3-hydroxy-4-oxo-2-[[2,10,12-trimethyl-13-[5-methyl-2-[2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]trideca-2,4,6,8,10,12-hexaenoyl]amino]butanoic acid
|
163053119 |
Click to see
CC1C(N=C(O1)C=CC2=CC=CN2)C=C(C)C=C(C)C=CC=CC=CC=C(C)C(=O)NC(C(C(=O)N)O)C(=O)O
|
548.60 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Organoheterocyclic compounds / Indoles and derivatives / Indoles / 3-alkylindoles
|
(E)-4-[3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indol-6-yl]-2-methylbut-3-en-2-ol
|
15765758 |
Click to see
CC1(C(O1)CC2=CNC3=C2C=CC(=C3)C=CC(C)(C)O)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
(Z)-4-[3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indol-6-yl]-2-methylbut-3-en-2-ol
|
101682302 |
Click to see
CC1(C(O1)CC2=CNC3=C2C=CC(=C3)C=CC(C)(C)O)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
[(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] (Z)-octadec-9-enoate
|
162999206 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)OCC(C1=CNC2=C1C=CC(=C2)CC=C(C)C)C(C)(C)O
|
551.80 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
[(2R)-3-hydroxy-3-methyl-2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butyl] hexadecanoate
|
9984346 |
Click to see
CCCCCCCCCCCCCCCC(=O)OCC(C1=CNC2=C1C=CC(=C2)CC=C(C)C)C(C)(C)O
|
525.80 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-(2-hydroxy-3-methoxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
162846017 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(C)(C)OC)O)C
|
315.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-(2-hydroxy-3-methylbut-3-enyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
101682303 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(=C)C)O)C
|
283.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-(2,3-dihydroxy-3-methylbutyl)-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
85101032 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(C)(C)O)O)C
|
301.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-[(2R)-2-hydroxy-3-methoxy-3-methylbutyl]-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
15765760 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(C)(C)OC)O)C
|
315.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-[(2R)-2-hydroxy-3-methylbut-3-enyl]-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
163188273 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(=C)C)O)C
|
283.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-[(2R)-2,3-dihydroxy-3-methylbutyl]-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
10040533 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C(C)(C)O)O)C
|
301.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1-[3-[(3,3-dimethyloxiran-2-yl)methyl]-1H-indol-5-yl]-3-methylbut-2-en-1-one
|
85107780 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC3C(O3)(C)C)C
|
283.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
1H-Indole, 3,6-bis(3-methyl-2-butenyl)-
|
10060835 |
Click to see
CC(=CCC1=CC2=C(C=C1)C(=CN2)CC=C(C)C)C
|
253.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
2,2-dimethyl-3-[5-(3-methylbut-2-enoyl)-1H-indol-3-yl]propanal
|
15765763 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC(C)(C)C=O)C
|
283.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3-[(3,3-dimethyloxiran-2-yl)methyl]-5-(3-methylbuta-1,3-dienyl)-1H-indole
|
162975638 |
Click to see
CC(=C)C=CC1=CC2=C(C=C1)NC=C2CC3C(O3)(C)C
|
267.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indole
|
15765762 |
Click to see
CC(=C)C=CC1=CC2=C(C=C1)NC=C2CC3C(O3)(C)C
|
267.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-6-(3-methylbut-2-enyl)-1H-indole
|
9993241 |
Click to see
CC(=CCC1=CC2=C(C=C1)C(=CN2)CC3C(O3)(C)C)C
|
269.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3,5-Hexalobine C
|
11778693 |
Click to see
CC1(C(O1)CC2=CC3=C(C=C2)NC=C3CC4C(O4)(C)C)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3,5-Hexalobine D
|
10062382 |
Click to see
CC(=CC(=O)C1=CC2=C(C=C1)NC=C2CC3C(O3)(C)C)C
|
283.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3,5-Hexalobine E
|
10062490 |
Click to see
CC1(C(O1)CC2=CNC3=C2C=C(C=C3)C=CC(C)(C)O)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
3,6-bis[(3,3-dimethyloxiran-2-yl)methyl]-1H-indole
|
85113696 |
Click to see
CC1(C(O1)CC2=CC3=C(C=C2)C(=CN3)CC4C(O4)(C)C)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
4-[3-[(3,3-dimethyloxiran-2-yl)methyl]-1H-indol-6-yl]-2-methylbut-3-en-2-ol
|
162843012 |
Click to see
CC1(C(O1)CC2=CNC3=C2C=CC(=C3)C=CC(C)(C)O)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
ent-3,6-Hexalobine C
|
15765757 |
Click to see
CC1(C(O1)CC2=CC3=C(C=C2)C(=CN3)CC4C(O4)(C)C)C
|
285.40 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Organoheterocyclic compounds / Pyrans / Pyranones and derivatives / Dihydropyranones
|
(2S,3S)-2-[(1R,2R)-1,2-dihydroxy-2-phenylethyl]-3-ethoxy-2,3-dihydropyran-6-one
|
122366245 |
Click to see
CCOC1C=CC(=O)OC1C(C(C2=CC=CC=C2)O)O
|
278.30 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Organoheterocyclic compounds / Quinolines and derivatives / Phenylquinolines / Naphthylquinolines
|
Unonopsine
|
183531 |
Click to see
C1CNC2=C(C3=CC=CC=C3C4=C2C1=CC5=C4OCO5)C6=C7C8=C(C9=CC=CC=C96)C1=C(C=C8CCN7)OCO1
|
524.60 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Coumaric acids and derivatives
|
Cinnamamide, p-hydroxy-N-(p-hydroxyphenethyl)-
|
89322 |
Click to see
C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O
|
283.32 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
Paprazine
|
5372945 |
Click to see
C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O
|
283.32 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
(-)-Epicatechin-(4alpha->8)-(-)-epicatechin
|
11399041 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1016/0031-9422(95)00333-3 |