Met001428: DIMBOA-Glc
Metabolite Information
Name
DIMBOA-Glc
IUPAC Name
4-hydroxy-7-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4-benzoxazin-3-one
Molecular Formula
C15H19NO10
Molecular Weight
373.31
Exact Mass
373.1008958
SMILES
COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O
InChIKey
WTGXAWKVZMQEDA-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3
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
adzuki_bean
asparagus
banana
broad_bean
broccoli
carrot
cauliflower
eggplant
fig
garlic
ginger
lemon
lettuce
mung_bean
peach
peanut
pineapple
potato
spinach
taro
tomato
turnip
asparagus
banana
broad_bean
broccoli
carrot
cauliflower
eggplant
fig
garlic
ginger
lemon
lettuce
mung_bean
peach
peanut
pineapple
potato
spinach
taro
tomato
turnip
Metabolite Spectrum Accession Label
ADZ00313p
ASP00458p
BAN00356p
BROB00643p
BROC00405p
CAR00181p
CAR00186p
CAU00025p
CAU00086p
EGG00483p
FIG00491p
GAR00549p
GIN00719n
GIN01090n
GIN01676p
LEM00382p
LET00003p
MUN00315p
PEACH00489n
PEAN00178n
PEAN00203n
PEAN00341p
PEAN00751p
PIN00016n
PIN00610p
POT00518p
SPI00349n
TAR00303p
TOM00654p
TUR00152p
ASP00458p
BAN00356p
BROB00643p
BROC00405p
CAR00181p
CAR00186p
CAU00025p
CAU00086p
EGG00483p
FIG00491p
GAR00549p
GIN00719n
GIN01090n
GIN01676p
LEM00382p
LET00003p
MUN00315p
PEACH00489n
PEAN00178n
PEAN00203n
PEAN00341p
PEAN00751p
PIN00016n
PIN00610p
POT00518p
SPI00349n
TAR00303p
TOM00654p
TUR00152p