Mid0068: Soraphen O


Name
Soraphen O
IUPAC Name
(5S,6S,11R)-5,11-dihydroxy-6-methoxy-11-phenylundecan-3-one
Molecular Formula
C18H28O4
Molecular Weight
308.4
Exact Mass
308.1987594
SMILES
CCC(=O)CC(C(CCCCC(C1=CC=CC=C1)O)OC)O
InChIKey
OJOVKWRNDCVECM-SQNIBIBYSA-N
InChI
InChI=1S/C18H28O4/c1-3-15(19)13-17(21)18(22-2)12-8-7-11-16(20)14-9-5-4-6-10-14/h4-6,9-10,16-18,20-21H,3,7-8,11-13H2,1-2H3/t16-,17+,18+/m1/s1
Other Databases Link
kegg_C15818
Structure
Classification
Alcohols
Crops containing this metabolite
maize
soy
astragalus
Related MS2T Accessions