input word = C00029837

Metabolite InformationStructural formula
Name Bonducellpin C
Formula C23H32O7
Mw 420.21480338
CAS RN 197781-84-3
C_ID C00029837 ,
InChIKey SSVDXCWSMBMTOV-RJWVEXLUNA-N
InChICode InChI=1S/C23H32O7/c1-12(24)30-17-6-8-21(2,3)23(27)11-15(25)19-14(22(17,23)4)10-16-13(7-9-29-16)18(19)20(26)28-5/h7,9,14-15,17-19,25,27H,6,8,10-11H2,1-5H3/t14-,15-,17-,18+,19+,22-,23+/m0/s1
SMILES COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
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OrganismCaesalpinia crista
ReferenceAwale,Chem.Pharm.Bull.,54,(2006),213