> Alkaloids and derivatives / 6,6a-secoaporphines
|
N-noratherosperminine
|
10957406 |
Click to see
CNCCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC
|
295.40 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Aporphines
|
Boldine
|
10154 |
Click to see
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
|
327.40 |
unknown |
via CMAUP database |
Cassythicine
|
442194 |
Click to see
CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)O)OCO3
|
325.40 |
unknown |
via CMAUP database |
dl-Nornuciferine
|
41169 |
Click to see
COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC
|
281.30 |
unknown |
via CMAUP database |
Laurotetanine
|
31415 |
Click to see
COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)OC
|
327.40 |
unknown |
via CMAUP database |
> Alkaloids and derivatives / Pavine alkaloids
|
(1S,12S)-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
|
11823545 |
Click to see
CN1C2CC3=CC(=C(C=C3C1CC4=CC5=C(C=C24)OCO5)OC)O
|
325.40 |
unknown |
via CMAUP database |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Hydroxybenzoic acid derivatives
|
4-Hydroxybenzoic acid
|
135 |
Click to see
C1=CC(=CC=C1C(=O)O)O
|
138.12 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Benzenoids / Benzene and substituted derivatives / Benzoic acids and derivatives / Methoxybenzoic acids and derivatives / M-methoxybenzoic acids and derivatives
|
Vanillic Acid
|
8468 |
Click to see
COC1=C(C=CC(=C1)C(=O)O)O
|
168.15 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.3987/COM-02-9615 https://doi.org/10.1002/JCCS.200200019 |
> Benzenoids / Benzene and substituted derivatives / Methoxybenzenes / Dimethoxybenzenes
|
(2E,4E,6R)-7-(3,4-dimethoxyphenyl)-N-ethyl-6-hydroxyhepta-2,4-dienamide
|
72196849 |
Click to see
CCNC(=O)C=CC=CC(CC1=CC(=C(C=C1)OC)OC)O
|
305.40 |
unknown |
via CMAUP database |
> Benzenoids / Phenanthrenes and derivatives
|
2,3,6,7-Tetramethoxy-9,11,12,13-tetrahydrophenanthro[9,10-f]indolizine
|
162846522 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C=C4CCCN4C3)C5=CC(=C(C=C25)OC)OC)OC
|
391.50 |
unknown |
https://doi.org/10.1021/NP050095O |
Dehydrotylophorine
|
11583623 |
Click to see
COC1=C(C=C2C(=C1)C3=CC(=C(C=C3C4=C2C=C5CCC[N+]5=C4)OC)OC)OC
|
390.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.3987/COM-02-9615 |
Pallidine
|
12313923 |
Click to see
CN1CCC23C=C(C(=O)C=C2C1CC4=CC(=C(C=C34)OC)O)OC
|
327.40 |
unknown |
via CMAUP database |
> Benzenoids / Phenanthrenes and derivatives / Phenanthroindolizidines
|
(-)-ficuseptine C
|
11359996 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC6=C(C=C52)OCO6
|
347.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP050095O |
(-)-Tylocrebrine
|
442875 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O |
(+)-Isotylocrebrine
|
12304631 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(+/-)-Antofine
|
5316514 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC
|
363.40 |
unknown |
https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 https://doi.org/10.1016/0031-9422(90)80209-Y |
(+/-)-Tylocrebrine
|
14949 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O |
(+/-)-Tylophorine
|
5090648 |
Click to see
COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 |
(10R,13aR)-2,3,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
11373207 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(10R,13aR)-3,4,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
163190261 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(10R,13aS,14S)-2,3,4,6,7-pentamethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium-14-ol
|
21634028 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C(C4CCC[N+]4(C3)[O-])O)C5=CC(=C(C(=C25)OC)OC)OC)OC
|
455.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(10S,13aR)-2,3,6-trimethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
21628376 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCC[N+]4(C3)[O-])C5=CC(=C(C=C52)OC)OC
|
379.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(10S,13aS)-3,4,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
11407208 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(13aR,14R)-3,4,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
|
163185677 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1021/NP900580F |
(13aR,14S)-2,3,4,6,7-pentamethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
|
162955398 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=CC(=C(C(=C25)OC)OC)OC)OC
|
439.50 |
unknown |
https://doi.org/10.1021/NP900580F |
(13aR)-2,3,5,6-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
11718490 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCC[N+]4(C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP050095O |
(13aR)-2,3,6-trimethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
10339670 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCC[N+]4(C3)[O-])C5=CC(=C(C=C52)OC)OC
|
379.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
639288 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC
|
363.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)80209-Y https://doi.org/10.1021/NP900580F https://doi.org/10.1016/J.JEP.2008.06.025 |
(13aR)-2,3,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
10525573 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(13aR)-3,4,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
11233824 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=C2C(=C(C=C5)OC)OC
|
363.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP050095O |
(13aR)-3,4,6,7-tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium
|
11632897 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP050095O |
(13aR)-3,4,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
163089129 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O |
(13aS,14S)-2,3,4,6,7-pentamethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium-14-ol
|
10411696 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C(C4CCC[N+]4(C3)[O-])O)C5=CC(=C(C(=C25)OC)OC)OC)OC
|
455.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
(13aS,14S)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizine-6,14-diol
|
626522 |
Click to see
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)O)OC
|
365.40 |
unknown |
via CMAUP database |
(13aS)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
12019847 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC
|
363.40 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
(13aS)-3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
49868734 |
Click to see
COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC
|
363.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
10S,13aR-isotylocrebrine N-oxide
|
11407207 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1021/NP050095O |
10S,13aR-tylocrebrine N-oxide
|
11165750 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCC[N+]4(C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP050095O |
12,13-Dimethoxy-5,7-dioxa-19-azahexacyclo[15.7.0.02,10.04,8.011,16.019,23]tetracosa-1(17),2,4(8),9,11(16),12,14-heptaene
|
72767292 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC6=C(C=C52)OCO6)OC
|
377.40 |
unknown |
https://doi.org/10.1021/NP050095O |
13-Methoxy-5,7-dioxa-19-azahexacyclo[15.7.0.02,10.04,8.011,16.019,23]tetracosa-1(17),2,4(8),9,11(16),12,14-heptaene
|
44430339 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC6=C(C=C52)OCO6
|
347.40 |
unknown |
https://doi.org/10.1021/NP050095O |
14Alpha-Hydroxyisocrebrine N-Oxide
|
15768065 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3O)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
425.50 |
unknown |
https://doi.org/10.1021/NP900580F |
2,3,4,6,7-Pentamethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
|
162955397 |
Click to see
COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=CC(=C(C(=C25)OC)OC)OC)OC
|
439.50 |
unknown |
https://doi.org/10.1021/NP900580F |
3,4,6-Trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
|
72762204 |
Click to see
COC1=CC2=C(C=C1)C3=C(CC4CCCN4C3)C5=C2C(=C(C=C5)OC)OC
|
363.40 |
unknown |
https://doi.org/10.1021/NP050095O |
3,4,6,7-Tetramethoxy-10-oxido-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-10-ium-14-ol
|
85447454 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3O)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
425.50 |
unknown |
https://doi.org/10.1021/NP900580F |
3,4,6,7-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
|
13942807 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1021/NP900580F |
Ficseptin B
|
11245870 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC6=C(C=C52)OCO6)OC
|
377.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP050095O |
Isotylocrebrine
|
10408269 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 |
Isotylocrebrine N-oxide
|
15768064 |
Click to see
COC1=C(C2=C(C=C1)C3=C(C[N+]4(CCCC4C3)[O-])C5=CC(=C(C=C52)OC)OC)OC
|
409.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
Tylocrebrine
|
246845 |
Click to see
COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 |
Tylophorine
|
92114 |
Click to see
COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 |
Tylophorine, (-)-
|
10883727 |
Click to see
COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC
|
393.50 |
unknown |
https://doi.org/10.1021/NP050095O https://doi.org/10.1021/NP900580F |
> Benzenoids / Phenols / Methoxyphenols
|
2-Methoxy-4-(2-pyrrolidin-2-ylethenyl)phenol
|
73094688 |
Click to see
COC1=C(C=CC(=C1)C=CC2CCCN2)O
|
219.28 |
unknown |
https://doi.org/10.1021/NP900580F |
2-methoxy-4-[(E)-2-[(2R)-pyrrolidin-2-yl]ethenyl]phenol
|
14734390 |
Click to see
COC1=C(C=CC(=C1)C=CC2CCCN2)O
|
219.28 |
unknown |
https://doi.org/10.1021/NP900580F |
2-methoxy-4-[(E)-2-[(2S)-pyrrolidin-2-yl]ethenyl]phenol
|
102586110 |
Click to see
COC1=C(C=CC(=C1)C=CC2CCCN2)O
|
219.28 |
unknown |
https://doi.org/10.1021/NP900580F |
2-methoxy-4-[(E)-2-pyrrolidin-2-ylethenyl]phenol
|
11769966 |
Click to see
COC1=C(C=CC(=C1)C=CC2CCCN2)O
|
219.28 |
unknown |
https://doi.org/10.1021/NP900580F |
Syringaldehyde
|
8655 |
Click to see
COC1=CC(=CC(=C1O)OC)C=O
|
182.17 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Lignans, neolignans and related compounds / Furanoid lignans
|
Syringaresinol
|
100067 |
Click to see
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
|
418.40 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Lipids and lipid-like molecules / Prenol lipids / Sesquiterpenoids / Aromadendrane sesquiterpenoids / 5,10-cycloaromadendrane sesquiterpenoids
|
1,1,4,7-Tetramethyl-1a,2,3,5,7a,7b-hexahydrocyclopropa[e]azulene
|
73804544 |
Click to see
CC1=C2CC=C(C2C3C(C3(C)C)CC1)C
|
202.33 |
unknown |
https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 |
> Lipids and lipid-like molecules / Prenol lipids / Triterpenoids
|
[(1R,2R,5R,7S,10R,11R,14R,15R,16S,17R,20R)-2,6,6,10,16,17,20-heptamethyl-7-hexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricosanyl] acetate
|
15383522 |
Click to see
CC1CCC2(CCC34CC3(C2C1C)CCC5C4(CCC6C5(CCC(C6(C)C)OC(=O)C)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
13,27-Cycloursan-3-ol, acetate, (3beta,13beta,14beta)-
|
635311 |
Click to see
CC1CCC2(CCC34CC3(C2C1C)CCC5C4(CCC6C5(CCC(C6(C)C)OC(=O)C)C)C)C
|
468.80 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
alpha-Amyrin
|
73170 |
Click to see
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
Beta-Amyrin
|
73145 |
Click to see
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
Lupeol
|
259846 |
Click to see
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
Squalene
|
638072 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.3987/COM-02-9615 https://doi.org/10.1016/J.JEP.2008.06.025 |
Super Squalene; trans-Squalene;AddaVax
|
1105 |
Click to see
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C
|
410.70 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives
|
Simiarenol
|
12442794 |
Click to see
CC(C)C1CCC2C1(CCC3(C2(CCC4(C3CC=C5C4CCC(C5(C)C)O)C)C)C)C
|
426.70 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Steroid lactones / Cardenolides and derivatives / Cardenolide glycosides and derivatives
|
(3S,5S,8R,9S,10S,11R,13R,14S,17R)-5,11,14-trihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
|
15115742 |
Click to see
CC1C(C(CC(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C=O)O)OC7C(C(C(C(O7)CO)O)O)O
|
712.80 |
unknown |
https://doi.org/10.1021/NP900580F |
> Lipids and lipid-like molecules / Steroids and steroid derivatives / Stigmastanes and derivatives
|
(2R,3R,4S,5S,6S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
154496016 |
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/10.1016/J.JEP.2008.06.025 |
(2R,3R,4S,5S,6S)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-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-yl]oxy]-6-methoxyoxane-3,4,5-triol
|
162971118 |
Click to see
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)OC)O)O)O)C)C)C(C)C
|
576.80 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-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
|
12314479 |
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/J.JEP.2008.06.025 |
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/10.3987/COM-02-9615 |
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/10.1002/JCCS.200200019 https://doi.org/10.3987/COM-02-9615 |
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/10.3987/COM-02-9615 |
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/10.1002/JCCS.200200019 https://doi.org/10.3987/COM-02-9615 |
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/10.1002/JCCS.200200019 https://doi.org/10.3987/COM-02-9615 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Asparagine and derivatives
|
Asparagine
|
6267 |
Click to see
C(C(C(=O)O)N)C(=O)N
|
132.12 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Organic oxygen compounds / Organooxygen compounds / Carbohydrates and carbohydrate conjugates / Glycosyl compounds / Phenolic glycosides
|
1-[4-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
|
12314758 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
|
314.29 |
unknown |
https://doi.org/10.1021/NP900580F https://doi.org/10.3987/COM-02-9615 |
Pungenin
|
12314759 |
Click to see
CC(=O)C1=CC(=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O
|
314.29 |
unknown |
via CMAUP database |
Tachioside
|
11962143 |
Click to see
COC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
|
302.28 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Benzaldehydes / Hydroxybenzaldehydes
|
4-Hydroxybenzaldehyde
|
126 |
Click to see
C1=CC(=CC=C1C=O)O
|
122.12 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Organic oxygen compounds / Organooxygen compounds / Carbonyl compounds / Phenylketones / Alkyl-phenylketones
|
1-(4-hydroxy-3-methoxyphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
|
163079045 |
Click to see
CN1CCCC1CC(=O)C2=CC(=C(C=C2)O)OC
|
249.30 |
unknown |
https://doi.org/10.1021/NP900580F |
Ficuseptamine A
|
44614016 |
Click to see
CN(C)CCCCCC(=O)C1=CC(=C(C=C1)O)OC
|
265.35 |
unknown |
https://doi.org/10.1021/NP900580F |
Ficuseptamine B
|
44614017 |
Click to see
CN(C)CCCCCC(=O)C1=CC(=C(C=C1)OC)O
|
265.35 |
unknown |
https://doi.org/10.1021/NP900580F |
Ficuseptamine C
|
44614018 |
Click to see
C[N+]1(CCCC1CC(=O)C2=CC(=C(C=C2)O)OC)C
|
264.34 |
unknown |
https://doi.org/10.1021/NP900580F |
Phyllosterone
|
14489133 |
Click to see
CN1CCCC1CC(=O)C2=CC(=C(C=C2)O)OC
|
249.30 |
unknown |
https://doi.org/10.1021/NP900580F |
> Organoheterocyclic compounds / Diazines / Pyrimidines and pyrimidine derivatives / Pyrimidones
|
Uracil
|
1174 |
Click to see
C1=CNC(=O)NC1=O
|
112.09 |
unknown |
https://doi.org/10.3987/COM-02-9615 https://doi.org/10.1016/J.JEP.2008.06.025 |
> Organoheterocyclic compounds / Pyridines and derivatives / Methylpyridines
|
2-Isopropyl-4-methylpyridine
|
529353 |
Click to see
CC1=CC(=NC=C1)C(C)C
|
135.21 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
> Organoheterocyclic compounds / Pyridines and derivatives / Phenylpyridines
|
6,8-bis(4-methoxyphenyl)-2,3-dihydro-1H-indolizin-4-ium
|
9976276 |
Click to see
COC1=CC=C(C=C1)C2=CC(=C3CCC[N+]3=C2)C4=CC=C(C=C4)OC
|
332.40 |
unknown |
https://doi.org/10.1016/0031-9422(90)80209-Y |
> Phenylpropanoids and polyketides / Cinnamic acids and derivatives / Hydroxycinnamic acids and derivatives / Hydroxycinnamic acids
|
p-Coumaric acid
|
637542 |
Click to see
C1=CC(=CC=C1C=CC(=O)O)O
|
164.16 |
unknown |
https://doi.org/10.1002/JCCS.200200019 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Coumarin glycosides
|
2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-
|
5351506 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
|
340.28 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
7-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
5420916 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
|
340.28 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
7-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
|
15558440 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
|
340.28 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
Esculin
|
5281417 |
Click to see
C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
|
340.28 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
> Phenylpropanoids and polyketides / Coumarins and derivatives / Hydroxycoumarins / 7-hydroxycoumarins
|
Umbelliferone
|
5281426 |
Click to see
C1=CC(=CC2=C1C=CC(=O)O2)O
|
162.14 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
> Phenylpropanoids and polyketides / Flavonoids / Flavonoid glycosides / Flavonoid O-glycosides / Flavonoid-7-O-glycosides
|
5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
44258935 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
578.50 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
94858219 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
Lespedin
|
5486199 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
578.50 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
Lespedin;Lespenephryl
|
12305415 |
Click to see
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
|
578.50 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflav-2-enes / Isoflavones
|
(7aS,11R,11aR)-5,8-dihydroxy-3-(4-hydroxyphenyl)-8-methyl-11-prop-1-en-2-yl-9,10,11,11a-tetrahydro-7aH-[1]benzofuro[2,3-h]chromen-4-one
|
15231942 |
Click to see
CC(=C)C1CCC(C2C1C3=C(O2)C=C(C4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)(C)O
|
420.50 |
unknown |
https://doi.org/10.3987/COM-95-7213 |
(7aS,8R,11R,11aR)-5,8-dihydroxy-3-(4-hydroxyphenyl)-8-methyl-11-prop-1-en-2-yl-9,10,11,11a-tetrahydro-7aH-[1]benzofuro[2,3-h]chromen-4-one
|
162958356 |
Click to see
CC(=C)C1CCC(C2C1C3=C(O2)C=C(C4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)(C)O
|
420.50 |
unknown |
https://doi.org/10.3987/COM-95-7213 |
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)chromen-4-one
|
124222283 |
Click to see
CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)O)O)O
|
404.50 |
unknown |
https://doi.org/10.3987/COM-95-7213 |
5,8-dihydroxy-3-(4-hydroxyphenyl)-8-methyl-11-prop-1-en-2-yl-9,10,11,11a-tetrahydro-7aH-[1]benzofuro[2,3-h]chromen-4-one
|
162958355 |
Click to see
CC(=C)C1CCC(C2C1C3=C(O2)C=C(C4=C3OC=C(C4=O)C5=CC=C(C=C5)O)O)(C)O
|
420.50 |
unknown |
https://doi.org/10.3987/COM-95-7213 |
Ficusin A
|
15231941 |
Click to see
CC1=CC(C(CC1)C(=C)C)C2=C(C=C(C3=C2OC=C(C3=O)C4=CC=C(C=C4)O)O)O
|
404.50 |
unknown |
https://doi.org/10.3987/COM-95-7213 |
Genistein
|
5280961 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
|
270.24 |
unknown |
https://doi.org/10.3987/COM-95-7213 |
> Phenylpropanoids and polyketides / Isoflavonoids / Isoflavonoid O-glycosides
|
5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
154496625 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.1016/J.JEP.2008.06.025 |
Genistin
|
5281377 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
Genistoside
|
5284639 |
Click to see
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O
|
432.40 |
unknown |
https://doi.org/10.3987/COM-02-9615 |
> Phenylpropanoids and polyketides / Stilbenes
|
(+)-S-Septicine
|
12315461 |
Click to see
COC1=C(C=C(C=C1)C2=C(CN3CCCC3C2)C4=CC(=C(C=C4)OC)OC)OC
|
395.50 |
unknown |
https://doi.org/10.1021/NP900580F |
(8aS)-7,8-bis(3,4-dimethoxyphenyl)-1,2,3,5,6,8a-hexahydroindolizine
|
162958728 |
Click to see
COC1=C(C=C(C=C1)C2=C(C3CCCN3CC2)C4=CC(=C(C=C4)OC)OC)OC
|
395.50 |
unknown |
https://doi.org/10.1007/BF00601596 |
7,8-Bis(3,4-dimethoxyphenyl)-1,2,3,5,6,8a-hexahydroindolizine
|
162958727 |
Click to see
COC1=C(C=C(C=C1)C2=C(C3CCCN3CC2)C4=CC(=C(C=C4)OC)OC)OC
|
395.50 |
unknown |
https://doi.org/10.1007/BF00601596 |
Septicine
|
10763252 |
Click to see
COC1=C(C=C(C=C1)C2=C(CN3CCCC3C2)C4=CC(=C(C=C4)OC)OC)OC
|
395.50 |
unknown |
https://doi.org/10.1021/NP900580F |