input word = C00037491

Metabolite InformationStructural formula
Name Meliacinol
(+)-Meliacinol
Formula C32H42O8
Mw 554.28796832
CAS RN 263758-73-2
C_ID C00037491 ,
InChIKey JAOOSUNNEZDAPO-ZKDFNWMRNA-N
InChICode InChI=1S/C32H42O8/c1-16(2)17(3)28(36)39-22-13-21(33)30(5)15-38-24-25(30)32(22,7)19-8-10-29(4)20(31(19,6)26(24)35)12-23(34)40-27(29)18-9-11-37-14-18/h9,11-12,14,19,21-22,24-27,33,35H,8,10,13,15H2,1-7H3/t19-,21+,22-,24+,25-,26+,27-,29+,30+,31+,32-/m0/s1
SMILES CC(C)=C(C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=CC(=O)O[C@@H](c6ccoc6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
--Azadiractica indica Ref.
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