input word = C00053563

Metabolite InformationStructural formula
Name Nimolicinoic acid
Formula C26H34O6
Mw 442.23553882
CAS RN 110201-78-0
C_ID C00053563
InChIKey XJVLUCNCIAUVIT-IXLKXQKHSA-N
InChICode InChI=1S/C26H34O6/c1-14(27)32-21-13-18-23(2,3)20(29)8-10-25(18,5)17-7-9-24(4)15(11-22(30)31)16(28)12-19(24)26(17,21)6/h8,10,12,15,17-18,21H,7,9,11,13H2,1-6H3,(H,30,31)/t15-,17-,18+,21-,24+,25-,26-/m1/s1
SMILES O=C(C1(C)C)C=C[C@@]2(C)[C@@]1([H])C[C@@H](OC(C)=O)[C@]3(C)[C@]2([H])CC[C@]4(C)C3=CC([C@H]4CC(O)=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
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