input word = C00059776

Metabolite InformationStructural formula
Name Moruslupenoic acid B
Formula C30H46O3
Mw 454.34469533
CAS RN 1373952-95-4
C_ID C00059776
InChIKey KJMHTEHAOONPNU-LFRBVCAUSA-N
InChICode InChI=1S/C30H46O3/c1-18(2)19-10-13-27(5)16-17-29(7)20(24(19)27)8-9-22-28(6)14-12-23(31)26(3,4)21(28)11-15-30(22,29)25(32)33/h8,19,21-24,31H,1,9-17H2,2-7H3,(H,32,33)/t19-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1
SMILES C=C(C)C1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C(=O)O)C12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
zoom in