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 COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)[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 crista Ref.
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