input word = C00029836

Metabolite InformationStructural formula
Name Bonducellpin B
(+)-Bonducellpin B
Formula C23H30O8
Mw 434.19406794
CAS RN 197781-83-2
C_ID C00029836 ,
InChIKey IRQDLEBBCDCFMG-BBUVWLLZNA-N
InChICode InChI=1S/C23H30O8/c1-11(24)31-19-18(26)17-13(10-14-12(7-9-30-14)16(17)20(27)29-5)22(4)15(25)6-8-21(2,3)23(19,22)28/h7,9,13,16-19,26,28H,6,8,10H2,1-5H3/t13-,16+,17-,18+,19-,22-,23+/m0/s1
SMILES c12c([C@H]([C@@H]3[C@H](C1)[C@@]1([C@@]([C@H]([C@@H]3O)OC(=O)C)(C(CCC1=O)(C)C)O)C)C(=O)OC)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
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