Met006738: 8-C-Glucopyranosyleriodictylol
Metabolite Information
Name
8-C-Glucopyranosyleriodictylol
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Molecular Formula
C21H22O11
Molecular Weight
450.4
Exact Mass
450.1162115
SMILES
C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
InChIKey
CMVYWFJFAHQVQP-GJNDOSSTSA-N
InChI
InChI=1S/C21H22O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-4,13-14,17-19,21-26,28-30H,5-6H2/t13?,14-,17-,18+,19-,21+/m1/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Phenylpropanoids and polyketides
Class:
Flavonoids
Subclass:
Flavonoid glycosides
Crops containing this metabolite
adzuki_bean
banana
bittermelon
grape
kidney_bean
lemon
lentil
lettuce
mung_bean
okra
pea
peach
peanut
taro
yam
banana
bittermelon
grape
kidney_bean
lemon
lentil
lettuce
mung_bean
okra
pea
peach
peanut
taro
yam
Metabolite Spectrum Accession Label
ADZ00003n
ADZ00663n
ADZ00681n
ADZ00755n
BAN00378n
BIT00469n
GRA00161n
KID00353n
KID00617n
KID00628n
KID00629n
LEM00239p
LEM00781p
LEN00505n
LET00199n
LET00230p
MUN00117p
MUN00306n
MUN00421p
MUN00453p
MUN00639n
MUN00701n
OKR00751n
PEACH00170p
PEACH00548n
PEACH00559n
PEA00307n
PEAN00120n
TAR00130p
YAM00127n
YAM00239n
ADZ00663n
ADZ00681n
ADZ00755n
BAN00378n
BIT00469n
GRA00161n
KID00353n
KID00617n
KID00628n
KID00629n
LEM00239p
LEM00781p
LEN00505n
LET00199n
LET00230p
MUN00117p
MUN00306n
MUN00421p
MUN00453p
MUN00639n
MUN00701n
OKR00751n
PEACH00170p
PEACH00548n
PEACH00559n
PEA00307n
PEAN00120n
TAR00130p
YAM00127n
YAM00239n