input word = C00035222

Metabolite InformationStructural formula
Name 3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
(+)-3beta-Acetoxy-18alpha-hydroperoxy-12-oleanen-11-one
Formula C32H50O5
Mw 514.36582471
CAS RN 340026-83-7
C_ID C00035222 ,
InChIKey IFOAOMXLDNSULJ-KNAZAXMMNA-N
InChICode InChI=1S/C32H50O5/c1-20(33)36-24-11-12-29(7)22(27(24,4)5)10-13-31(9)25(29)21(34)18-23-30(31,8)17-16-28(6)15-14-26(2,3)19-32(23,28)37-35/h18,22,24-25,35H,10-17,19H2,1-9H3/t22-,24-,25+,28+,29-,30+,31+,32-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@@]1([C@@](CC2)(CCC(C1)(C)C)C)OO)C)C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa Ref.
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