input word = C00041266

Metabolite InformationStructural formula
Name 3-Oxolupenol
30-hydroxylup-20(29)-en-3-one
30-Hydroxylup-20(29)-en-3-one
(+)-30-Hydroxylup-20(29)-en-3-one
Formula C30H48O2
Mw 440.36543078
CAS RN 72944-06-0
C_ID C00041266 ,
InChIKey ZUBZPUNHXGLZSQ-DYWULMQRNA-N
InChICode InChI=1S/C30H48O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-23,25,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,25-,27+,28-,29+,30+/m0/s1
SMILES C=C(CO)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhizophoraceaeCassipourea madagascariensis Ref.
PlantaeStilbaceaeNuxia sphaerocephala Ref.
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OrganismNuxia sphaerocephala
ReferenceGyebi, G. A. et al., J. Biomol. Str. Dynamics, (2020), doi. Org/10.1080/07391102.2020.1764868.