input word = C00051573

Metabolite InformationStructural formula
Name Methyl oleanolate
Formula C31H50O3
Mw 470.37599546
CAS RN 1724-17-0
C_ID C00051573
InChIKey BTXWOKJOAGWCSN-WSYDQPCPNA-N
InChICode InChI=1S/C31H50O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePrunella vulgaris Ref.
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