input word = C00029448

Metabolite InformationStructural formula
Name 2-Acetoxycaesaldekarin e
Formula C26H32O8
Mw 472.209718
CAS RN 106533-48-6
C_ID C00029448 ,
InChIKey XOTNHMCJXKGKCN-GKXGIDTONA-N
InChICode InChI=1S/C26H32O8/c1-13-17-8-10-26(30)24(5,6)22(33-15(3)28)21(32-14(2)27)23(34-16(4)29)25(26,7)19(17)12-20-18(13)9-11-31-20/h9,11-12,21-23,30H,8,10H2,1-7H3/t21-,22+,23-,25-,26+/m0/s1
SMILES CC(=O)O[C@H]1[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4occc4c3C)[C@@]2(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
PlantaeFabaceaeCaesalpinia crista Ref.
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