input word = C00053371

Metabolite InformationStructural formula
Name Isonimolicinolide
Formula C30H36O9
Mw 540.23593275
CAS RN 106807-34-5
C_ID C00053371
InChIKey ZXURWFKNHWDZSV-UHFFFAOYSA-N
InChICode InChI=1S/C30H36O9/c1-15(31)37-23-14-19-26(3,4)21(33)9-10-27(19,5)18-8-11-28(6)20(29(18,23)7)13-22(34)30(28,39-16(2)32)17-12-24(35)38-25(17)36/h9-10,12-13,18-19,23,25,36H,8,11,14H2,1-7H3
SMILES O=C1OC(O)C(C(C2(C)C(C3(C)C(OC(C)=O)CC4C(C)(C)C(C=CC4(C)C3CC2)=O)=C5)(OC(C)=O)C5=O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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