input word = C00061058

Metabolite InformationStructural formula
Name 7alpha-Senecioyl-7-deacetyl-23-O-methylnimocinolide
Formula C32H42O7
Mw 538.2930537
CAS RN 247923-85-9
C_ID C00061058
InChIKey BDOVEZSKAKIKOT-ASODUYSLSA-N
InChICode InChI=1S/C32H42O7/c1-17(2)15-23(34)38-27-25(35)26-29(3,4)22(33)12-14-31(26,6)21-11-13-30(5)19(9-10-20(30)32(21,27)7)18-16-24(37-8)39-28(18)36/h10,12,14-16,19,21,24-27,35H,9,11,13H2,1-8H3/t19-,21+,24?,25+,26-,27+,30-,31+,32-/m0/s1
SMILES COC1C=C(C2CC=C3C2(C)CCC2C4(C)C=CC(=O)C(C)(C)C4C(O)C(OC(=O)C=C(C)C)C32C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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