input word = C00035185

Metabolite InformationStructural formula
Name (20S)-3beta-Acetoxy-20-hydroperoxy-30-norlupane
Formula C31H52O4
Mw 488.38656015
CAS RN 340026-82-6
C_ID C00035185 ,
InChIKey KHDIRIGQBDNIRR-MGZMEGOLNA-N
InChICode InChI=1S/C31H52O4/c1-19(35-33)21-11-14-28(5)17-18-30(7)22(26(21)28)9-10-24-29(6)15-13-25(34-20(2)32)27(3,4)23(29)12-16-31(24,30)8/h19,21-26,33H,9-18H2,1-8H3/t19-,21-,22+,23-,24+,25+,26+,28+,29-,30+,31+/m0/s1
SMILES [C@H]12[C@@](CC[C@@]3([C@@H]1CC[C@H]1[C@]3(CC[C@@H]3[C@@]1(CC[C@H](C3(C)C)OC(=O)C)C)C)C)(CC[C@H]2[C@H](C)OO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa Ref.
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