input word = C00061205

Metabolite InformationStructural formula
Name (20alpha)-29-Hydroxy-3-oxoolean-12-en-28-oic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 273198-93-9
C_ID C00061205
InChIKey CZSDKFJKOMHDAG-BBDIDADBSA-N
InChICode InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,26+,27-,28+,29+,30-/m0/s1
SMILES CC1(CO)CCC2(C(=O)O)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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