Met000149: beta-D-Glucopyranosyl-11-hydroxyjasmonic acid

  Metabolite Information

Name
beta-D-Glucopyranosyl-11-hydroxyjasmonic acid
IUPAC Name
2-[3-oxo-2-[(E)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypent-2-enyl]cyclopentyl]acetic acid
Molecular Formula
C18H28O9
Molecular Weight
388.4
Exact Mass
388.1733325
SMILES
CC(C=CCC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
InChIKey
LAYQBSCEPAXXNJ-NSCUHMNNSA-N
InChI
InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2+
Other Databases Link
PubChem:131752770

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Lipids and lipid-like molecules
        Class: Fatty Acyls
            Subclass: Fatty acyl glycosides

  Crops containing this metabolite

avocado
chestnut
chickpea
cowpea
cucumber
ginger
kidney_bean
mango
mung_bean
okra
parsley
pea
peach
peanut
perilla
spinach
taro
tomato

  Metabolite Spectrum Accession Label

AVO00863n
CHE00474n
CHE00553n
CHE00618n
CHE00743p
CHI00017n
COW00077n
COW00162n
COW00244n
COW00392n
COW00652n
COW00661n
COW00740n
CUC00178n
CUC00207p
GIN00607n
GIN01428n
KID00175n
KID00220n
KID00257p
KID00455n
KID00457n
KID00538n
KID00632n
KID00712n
KID00814n
MAN00007n
MAN00344n
MAN00566n
MAN00580n
MUN00044n
MUN00181n
MUN00317n
MUN00318n
MUN00343n
OKR00211n
OKR00329n
OKR00350n
OKR00442p
OKR00815p
PAR00619n
PAR01033n
PEACH00449n
PEACH00566n
PEA00597n
PEAN00282n
PEAN00598n
PER00403p
PER00511p
SPI00039n
SPI00082n
SPI00701n
SPI00729n
TAR00047p
TOM00355n
TOM00655n