input word = C00049086

Metabolite InformationStructural formula
Name 3beta,24,30-Trihydroxyurs-12-ene
Formula C30H50O3
Mw 458.37599546
CAS RN 209343-88-4
C_ID C00049086 ,
InChIKey VTNQDLKMQZGQKJ-MGMMKUSCNA-N
InChICode InChI=1S/C30H50O3/c1-19-20(17-31)9-12-26(2)15-16-29(5)21(25(19)26)7-8-23-27(3)13-11-24(33)28(4,18-32)22(27)10-14-30(23,29)6/h7,19-20,22-25,31-33H,8-18H2,1-6H3/t19-,20-,22+,23+,24-,25-,26+,27-,28+,29+,30+/m0/s1
SMILES C[C@H]1[C@H](CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana neurotheca Ref.
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