input word = C00059407

Metabolite InformationStructural formula
Name Populninic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 120090-56-4
C_ID C00059407
InChIKey GAECCODNECFMOD-MSRONOKSSA-N
InChICode InChI=1S/C30H46O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h20-22,32H,8-17H2,1-7H3,(H,33,34)/t20-,21+,22+,25+,26+,27-,28+,29+,30-/m0/s1
SMILES CC1=C(O)C(=O)CC2C1(C)CCC1C2(C)CCC2(C)C3CC(C)(C(=O)O)CCC3(C)CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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