input word = C00040604

Metabolite InformationStructural formula
Name Urs-3beta,13alpha,18beta-triol
(+)-Urs-3beta,13alpha,18beta-triol
Formula C30H52O3
Mw 460.39164553
CAS RN 1005517-11-2
C_ID C00040604 ,
InChIKey QCMCWSUTTLFDIG-FQTHABSTNA-N
InChICode InChI=1S/C30H52O3/c1-19-9-13-25(5)17-18-28(8)27(7)15-10-21-24(3,4)23(31)12-14-26(21,6)22(27)11-16-29(28,32)30(25,33)20(19)2/h19-23,31-33H,9-18H2,1-8H3/t19-,20+,21-,22-,23+,25-,26+,27-,28+,29+,30+/m1/s1
SMILES C[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@](O)(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@]2(O)[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Vladimiria muliensis Ref.
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