input word = C00047142

Metabolite InformationStructural formula
Name 24-Hydroperoxycycloart-25-en-3beta-ol
Formula C30H50O3
Mw 458.37599546
CAS RN 161064-22-8
C_ID C00047142 ,
InChIKey MNBULVJBKRSNLP-UVOIZAORNA-N
InChICode InChI=1S/C30H50O3/c1-19(2)22(33-32)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(31)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@H](C)CC[C@@H](C(=C)C)OO)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeBlepharodon nitidum Ref.
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