input word = C00046140

Metabolite InformationStructural formula
Name Methyl kulonate
Formula C31H48O4
Mw 484.35526002
CAS RN 22611-37-6
C_ID C00046140 ,
InChIKey ZLOYHDGVJFCYJK-AVEFLBJUNA-N
InChICode InChI=1S/C31H48O4/c1-19(2)10-9-11-20(27(34)35-8)26-23(32)18-31(7)22-12-13-24-28(3,4)25(33)15-16-29(24,5)21(22)14-17-30(26,31)6/h10,12,20-21,23-24,26,32H,9,11,13-18H2,1-8H3/t20-,21+,23+,24+,26-,29-,30+,31-/m1/s1
SMILES COC(=O)[C@H](CCC=C(C)C)[C@@H]1[C@@H](O)C[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
PlantaeMeliaceaeMelia azedarach Ref.
PlantaeMeliaceaeMelia dubia Ref.
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