input word = C00032088

Metabolite InformationStructural formula
Name Odoratone
Formula C30H48O4
Mw 472.35526002
CAS RN 16962-90-6
C_ID C00032088 ,
InChIKey QVEUBDDZMCFHNJ-OYSWEJAANA-N
InChICode InChI=1S/C30H48O4/c1-17(24-23(32)25(33)27(4,5)34-24)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t17-,18+,19+,21+,23-,24-,25+,28-,29+,30-/m1/s1
SMILES C[C@@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachata indica Ref.
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeCedrela graziovii Ref.
PlantaeMeliaceaeCedrela odorata Ref.
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OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.