Met009018: 9,12,13,TriHODE
Metabolite Information
Name
9,12,13,TriHODE
IUPAC Name
(10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid
Molecular Formula
C18H32O5
Molecular Weight
328.4
Exact Mass
328.2249741
SMILES
CCC=CCC(C(C=CC(CCCCCCCC(=O)O)O)O)O
InChIKey
MKYUCBXUUSZMQB-NMABCHCUSA-N
InChI
InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3+,14-13+
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Subclass:
Lineolic acids and derivatives
Crops containing this metabolite
adzuki_bean
broccoli
chickpea
citrus
cowpea
eggplant
fig
kidney_bean
lettuce
mung_bean
parsley
pea
broccoli
chickpea
citrus
cowpea
eggplant
fig
kidney_bean
lettuce
mung_bean
parsley
pea
Metabolite Spectrum Accession Label