input word = C00062804

Metabolite InformationStructural formula
Name (1beta,2beta,5alpha,7alpha,13alpha,14beta,15beta,17alpha)-7-(Acetyloxy)-1,2:14,15:21,23-triepoxy-4,4,8-trimethyl-24-norchola-20,22-diene-3,16-dione
Formula C28H34O7
Mw 482.23045344
CAS RN 72446-29-8
C_ID C00062804
InChIKey IRLGUCNVQLHFII-MBFAFBMBSA-N
InChICode InChI=1S/C28H34O7/c1-13(29)33-17-11-16-24(2,3)21(31)20-23(34-20)26(16,5)15-7-9-25(4)18(14-8-10-32-12-14)19(30)22-28(25,35-22)27(15,17)6/h8,10,12,15-18,20,22-23H,7,9,11H2,1-6H3/t15-,16+,17-,18-,20-,22-,23-,25+,26-,27+,28-/m1/s1
SMILES CC(=O)OC1CC2C(C)(C)C(=O)C3OC3C2(C)C2CCC3(C)C(c4ccoc4)C(=O)C4OC43C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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