input word = C00062996

Metabolite InformationStructural formula
Name 7-Deacetyl-7-benzoylgedunin
Formula C33H36O7
Mw 544.2461035
CAS RN 78285-83-3
C_ID C00062996
InChIKey FJGQKVDLYYRRKR-VHSMAHMUSA-N
InChICode InChI=1S/C33H36O7/c1-29(2)22-17-24(38-27(35)19-9-7-6-8-10-19)32(5)21(30(22,3)14-12-23(29)34)11-15-31(4)25(20-13-16-37-18-20)39-28(36)26-33(31,32)40-26/h6-10,12-14,16,18,21-22,24-26H,11,15,17H2,1-5H3/t21-,22+,24-,25+,26-,30-,31+,32+,33-/m1/s1
SMILES CC1(C)C(=O)C=CC2(C)C1CC(OC(=O)c1ccccc1)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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