input word = C00046820

Metabolite InformationStructural formula
Name Methyl botryoloate
(+)-Methyl botryoloate
Formula C18H30O6
Mw 342.20423869
CAS RN 75207-24-8
C_ID C00046820 ,
InChIKey DZXAXKUHDLGMSG-ZWJHHAKYNA-N
InChICode InChI=1S/C18H30O6/c1-10-7-12(24-11(2)20)14-16(3,4)8-17(5,9-19)18(14,22)13(10)15(21)23-6/h10,12-14,19,22H,7-9H2,1-6H3/t10-,12+,13-,14+,17-,18+/m1/s1
SMILES COC(=O)[C@H]1[C@H](C)C[C@H](OC(C)=O)[C@H]2C(C)(C)C[C@](C)(CO)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Botrytis cinerea Ref.
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