input word = C00035998

Metabolite InformationStructural formula
Name Gamboukokoensein A
1alpha,2alpha,3beta,19alpha,23-Pentahydroxyurs-12-en-28-oic acid
Formula C30H48O7
Mw 520.34000389
CAS RN 638209-27-5
C_ID C00035998 ,
InChIKey URUKJKAHSHXWOF-RHALVFMXNA-N
InChICode InChI=1S/C30H48O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-27(26,4)11-10-18-25(2,15-31)22(33)20(32)23(34)28(18,19)5/h7,16,18-23,31-34,37H,8-15H2,1-6H3,(H,35,36)/t16-,18+,19+,20+,21-,22+,23+,25+,26-,27-,28+,29-,30+/m1/s1
SMILES C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@@H](O)[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapotaceaeGambeya boukokoensis Ref.
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