Met005831: (-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside

  Metabolite Information

Name
(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
IUPAC Name
2-[(1R,2R)-3-oxo-2-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentyl]cyclopentyl]acetic acid
Molecular Formula
C18H30O9
Molecular Weight
390.4
Exact Mass
390.1889825
SMILES
CC(CCCC1C(CCC1=O)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O
InChIKey
QPYZJXJBZOQDGA-XGNCEZCHSA-N
InChI
InChI=1S/C18H30O9/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/h9-11,13,15-19,23-25H,2-8H2,1H3,(H,21,22)/t9?,10-,11-,13-,15-,16+,17-,18-/m1/s1
Other Databases Link
PubChem:11966292

  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

astragalus
maize
medicago
soybean
sweet_potato
morus
s_miltiorrhiza
leonurus
adzuki_bean
broad_bean
chestnut
cowpea
kidney_bean
kiwifruit
lettuce
mung_bean
okra
pea
peanut
perilla
tomato

  Metabolite Spectrum Accession Label

SP00665n
AS01566n
AS01567n
MED04903p
MED02326n
MALB00957n
MALB00955n
ADZ00105n
ADZ00600n
ADZ00684n
ADZ00763n
BROB00732p
CHE00197n
CHE00414n
COW00039n
COW00220n
COW00224n
KID00017n
KID00400n
KID00719n
KIW00331n
LET00091n
MUN00237n
MUN00282n
MUN00457n
OKR00036n
OKR00432n
PEA00120n
PEA00172n
PEA00607p
PEAN00616n
PER00885n
PER00903n
PER01294n
TOM00194n
TOM00221n
SMIL01335n
SMIL01339n
LEJAP01504n
LEJAP01505n
LEJAP01509n
SY01040n
MZ01374p
MZ01039n
MZ01041n