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 c12c([C@H]([C@@H]3[C@H](C1)[C@@]1([C@@](C[C@@H]3O)(C(CC[C@@H]1OC(=O)C)(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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OrganismCaesalpinia bonduc
ReferencePudhom,J.Nat.Prod.,70,(2007),1542