Met006142: Ethyl (S)-3-hydroxybutyrate glucoside
Metabolite Information
Name
Ethyl (S)-3-hydroxybutyrate glucoside
IUPAC Name
ethyl 3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoate
Molecular Formula
C12H22O8
Molecular Weight
294.3
Exact Mass
294.1314677
SMILES
CCOC(=O)CC(C)OC1C(C(C(C(O1)CO)O)O)O
InChIKey
HEBPYQNXDMDRKR-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O8/c1-3-18-8(14)4-6(2)19-12-11(17)10(16)9(15)7(5-13)20-12/h6-7,9-13,15-17H,3-5H2,1-2H3
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:
Fatty acyl glycosides
Crops containing this metabolite
asparagus
avocado
banana
bittermelon
chestnut
citrus
cowpea
cucumber
fig
kiwifruit
lemon
loquat
mango
muskmelon
okra
papaya
parsley
pea
perilla
watermelon
yam
avocado
banana
bittermelon
chestnut
citrus
cowpea
cucumber
fig
kiwifruit
lemon
loquat
mango
muskmelon
okra
papaya
parsley
pea
perilla
watermelon
yam
Metabolite Spectrum Accession Label
ASP00062n
ASP00454n
AVO00858n
BAN00003n
BAN00308n
BIT00116n
BIT00161p
BIT00540n
CHE00191n
CIT00278n
CIT00353n
COW00491n
CUC00085n
FIG00036n
KIW00189n
KIW00311n
KIW00381n
LEM00522n
LEM00836n
LOQ00147n
LOQ00390n
MAN00530n
MUS00081p
MUS00315n
MUS00323n
OKR00125n
PAP00026n
PAR00990n
PEA00321n
PEA00509n
PER01006n
WAT00250p
WAT00316n
YAM00236n
YAM00445n
ASP00454n
AVO00858n
BAN00003n
BAN00308n
BIT00116n
BIT00161p
BIT00540n
CHE00191n
CIT00278n
CIT00353n
COW00491n
CUC00085n
FIG00036n
KIW00189n
KIW00311n
KIW00381n
LEM00522n
LEM00836n
LOQ00147n
LOQ00390n
MAN00530n
MUS00081p
MUS00315n
MUS00323n
OKR00125n
PAP00026n
PAR00990n
PEA00321n
PEA00509n
PER01006n
WAT00250p
WAT00316n
YAM00236n
YAM00445n