input word = C00029835

Metabolite InformationStructural formula
Name Bonducellpin A
Formula C25H34O9
Mw 478.22028269
CAS RN 197781-82-1
C_ID C00029835 ,
InChIKey NQRAYTDNIQRCFX-VSUKCAGHNA-N
InChICode InChI=1S/C25H34O9/c1-12(26)33-17-7-9-23(3,4)25(30)21(34-13(2)27)20(28)19-15(24(17,25)5)11-16-14(8-10-32-16)18(19)22(29)31-6/h8,10,15,17-21,28,30H,7,9,11H2,1-6H3/t15-,17-,18+,19-,20+,21-,24-,25+/m0/s1
SMILES c12c([C@H]([C@@H]3[C@H](C1)[C@@]1([C@@]([C@H]([C@@H]3O)OC(=O)C)(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 crista Ref.
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