input word = C00062805

Metabolite InformationStructural formula
Name 7-O-Benzoylnimbocinol
Formula C33H36O5
Mw 512.25627426
CAS RN 72446-30-1
C_ID C00062805
InChIKey BNCQITGVZDTXDN-RCNGYQEYSA-N
InChICode InChI=1S/C33H36O5/c1-30(2)24-18-27(38-29(36)20-9-7-6-8-10-20)33(5)23(31(24,3)15-12-26(30)35)11-14-32(4)25(33)17-22(34)28(32)21-13-16-37-19-21/h6-10,12-13,15-17,19,23-24,27-28H,11,14,18H2,1-5H3/t23-,24+,27-,28-,31-,32-,33-/m1/s1
SMILES CC1(C)C(=O)C=CC2(C)C1CC(OC(=O)c1ccccc1)C1(C)C3=CC(=O)C(c4ccoc4)C3(C)CCC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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