input word = C00059960

Metabolite InformationStructural formula
Name (4beta,5beta,8alpha,9beta,10alpha,13alpha,14beta,20beta,22beta)-22-Hydroxy-9,13-dimethyl-3,21-dioxo-24,25,26,30-tetranoroleanane-5-carboxylic acid, methyl ester
Formula C30H46O5
Mw 486.33452458
CAS RN 144629-88-9
C_ID C00059960
InChIKey KNIXFTUCWDHXDH-NLXMLGOXSA-N
InChICode InChI=1S/C30H46O5/c1-17-16-22-27(4,24(33)23(17)32)13-15-28(5)20-10-11-30(25(34)35-7)18(2)19(31)8-9-21(30)26(20,3)12-14-29(22,28)6/h17-18,20-22,24,33H,8-16H2,1-7H3/t17-,18+,20+,21+,22-,24-,26-,27-,28-,29+,30+/m1/s1
SMILES COC(=O)C12CCC3C(C)(CCC4(C)C5CC(C)C(=O)C(O)C5(C)CCC34C)C1CCC(=O)C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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