Met009972: 4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Metabolite Information
Name
4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
IUPAC Name
3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
Molecular Formula
C13H16O9
Molecular Weight
316.26
Exact Mass
316.0794321
SMILES
C1=CC(=C(C=C1C(=O)O)O)OC2C(C(C(C(O2)CO)O)O)O
InChIKey
HFFREILXLCWCQH-BZNQNGANSA-N
InChI
InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(12(19)20)3-6(7)15/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic oxygen compounds
Class:
Organooxygen compounds
Subclass:
Carbohydrates and carbohydrate conjugates
Crops containing this metabolite
cassava
maize
medicago
rice
soybean
sweet_potato
morus
s_miltiorrhiza
leonurus
maize
medicago
rice
soybean
sweet_potato
morus
s_miltiorrhiza
leonurus
Metabolite Spectrum Accession Label
RE00583n
SP00390n
SP00391n
MED01647n
MED01651n
MALB00543n
MALB00542n
AVO00123n
AVO01170n
BLU00254n
BROC00116n
BROC00229n
BROC00275n
BROC00548n
BROC00608n
BROC00784n
CAB00075n
CAR00046n
CAR00362n
CAU00008n
CAU00357n
CHI00093n
CHI00282n
CHI00347n
CHI00370n
CHI00412n
CHI00689n
CIT00008n
CIT00650n
COW00091n
COW00202n
CUC00390n
CUC00391n
CUC00422n
KIW00573n
LEM00491n
LEM00505n
LET00080n
LET00101n
LET00295n
LET00408n
LOQ00471n
MAN00452n
MUS00138n
OKR00397n
PAP00001n
PAP00051n
PAP00059n
PAP00134n
PAP00236n
PAP00374n
PAR01249n
PEACH00017n
PEA00221n
PEA00252n
PER00388n
POT00022n
POT00125n
POT00265n
POT00307n
POT00358n
POT00361n
POT00416n
POT00523n
TAR00232p
TAR00307p
YAM00270n
SMIL00785n
SMIL00786n
SMIL00787n
LEJAP00851n
LEJAP00852n
CA00414n
SY00696n
SY00697n
MZ00560n
SP00390n
SP00391n
MED01647n
MED01651n
MALB00543n
MALB00542n
AVO00123n
AVO01170n
BLU00254n
BROC00116n
BROC00229n
BROC00275n
BROC00548n
BROC00608n
BROC00784n
CAB00075n
CAR00046n
CAR00362n
CAU00008n
CAU00357n
CHI00093n
CHI00282n
CHI00347n
CHI00370n
CHI00412n
CHI00689n
CIT00008n
CIT00650n
COW00091n
COW00202n
CUC00390n
CUC00391n
CUC00422n
KIW00573n
LEM00491n
LEM00505n
LET00080n
LET00101n
LET00295n
LET00408n
LOQ00471n
MAN00452n
MUS00138n
OKR00397n
PAP00001n
PAP00051n
PAP00059n
PAP00134n
PAP00236n
PAP00374n
PAR01249n
PEACH00017n
PEA00221n
PEA00252n
PER00388n
POT00022n
POT00125n
POT00265n
POT00307n
POT00358n
POT00361n
POT00416n
POT00523n
TAR00232p
TAR00307p
YAM00270n
SMIL00785n
SMIL00786n
SMIL00787n
LEJAP00851n
LEJAP00852n
CA00414n
SY00696n
SY00697n
MZ00560n