input word = C00062294

Metabolite InformationStructural formula
Name Paniculatadiol
Formula C30H50O2
Mw 442.38108084
CAS RN 58167-03-6
C_ID C00062294
InChIKey OYONPFUYHNGECE-TZQRTXEESA-N
InChICode InChI=1S/C30H50O2/c1-25(2)22-10-13-30(7)23(28(22,5)12-11-24(25)32)9-8-20-21-18-26(3,19-31)14-15-27(21,4)16-17-29(20,30)6/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,26+,27+,28-,29+,30+/m0/s1
SMILES CC1(CO)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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