input word = C00042168

Metabolite InformationStructural formula
Name 7-Acetoxybonducellpin C
(+)-7-Acetoxybonducellpin C
Formula C25H34O8
Mw 462.22536806
CAS RN 197781-86-5
C_ID C00042168 ,
InChIKey VWWBNOKRESJKKB-NYRCZBFDNA-N
InChICode InChI=1S/C25H34O8/c1-13(26)32-18-12-25(29)23(3,4)9-7-19(33-14(2)27)24(25,5)16-11-17-15(8-10-31-17)20(21(16)18)22(28)30-6/h8,10,16,18-21,29H,7,9,11-12H2,1-6H3/t16-,18-,19-,20+,21+,24-,25+/m0/s1
SMILES COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=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 crista Ref.
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