input word = C00061114

Metabolite InformationStructural formula
Name Moruslupenoic acid A
Formula C30H48O3
Mw 456.3603454
CAS RN 2566-80-5
C_ID C00061114
InChIKey CLOUCVRNYSHRCF-TVPFQTAESA-N
InChICode InChI=1S/C30H48O3/c1-18(2)19-10-13-27(5)16-17-30(25(32)33)20(24(19)27)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-29(22,30)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1
SMILES C=C(C)C1CCC2(C)CCC3(C(=O)O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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OrganismMorus alba
Referencehttps://doi.org/10.1080/14786419.2012.676547