Met009960: 2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside
Metabolite Information
Name
2,5,7,3',4'-Pentahydroxyflavanone 5-O-glucoside
IUPAC Name
2-(3,4-dihydroxyphenyl)-2,7-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-chromen-4-one
Molecular Formula
C21H22O12
Molecular Weight
466.4
Exact Mass
466.1111261
SMILES
C1C(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)OC1(C4=CC(=C(C=C4)O)O)O
InChIKey
FOIXCNDPSRKKCK-JIZMHTQASA-N
InChI
InChI=1S/C21H22O12/c22-7-15-17(27)18(28)19(29)20(32-15)31-13-4-9(23)5-14-16(13)12(26)6-21(30,33-14)8-1-2-10(24)11(25)3-8/h1-5,15,17-20,22-25,27-30H,6-7H2/t15-,17-,18+,19-,20-,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
cowpea
kidney_bean
lemon
mung_bean
okra
peach
banana
cowpea
kidney_bean
lemon
mung_bean
okra
peach
Metabolite Spectrum Accession Label
ADZ00025n
ADZ00191n
ADZ00202n
ADZ00253n
ADZ00267n
ADZ00295n
ADZ00439n
ADZ00468n
ADZ00645p
ADZ00733n
BAN00015n
BAN00292n
COW00270n
COW00298n
COW00380n
COW00552n
COW00703n
KID00524n
KID00837n
LEM00184p
MUN00075p
MUN00324n
MUN00550p
MUN00593p
MUN00735p
OKR00293n
OKR00307n
OKR00829n
PEACH00045n
PEACH00132n
PEACH00248n
PEACH00345n
PEACH00427n
PEACH00448p
ADZ00191n
ADZ00202n
ADZ00253n
ADZ00267n
ADZ00295n
ADZ00439n
ADZ00468n
ADZ00645p
ADZ00733n
BAN00015n
BAN00292n
COW00270n
COW00298n
COW00380n
COW00552n
COW00703n
KID00524n
KID00837n
LEM00184p
MUN00075p
MUN00324n
MUN00550p
MUN00593p
MUN00735p
OKR00293n
OKR00307n
OKR00829n
PEACH00045n
PEACH00132n
PEACH00248n
PEACH00345n
PEACH00427n
PEACH00448p