Met007895: Isoorientin 6''-O-glucoside

  Metabolite Information

Name
Isoorientin 6''-O-glucoside
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,4R,5S)-3,4,5-trihydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]chromen-4-one
Molecular Formula
C26H28O16
Molecular Weight
596.5
Exact Mass
596.1377348
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)O)O
InChIKey
PKNXIIKRAPQZNT-ATVSXTNHSA-N
InChI
InChI=1S/C26H28O16/c27-6-14-17(32)19(34)22(37)25(40-14)42-26-23(38)20(35)21(36)24(41-26)16-11(31)5-13-15(18(16)33)10(30)4-12(39-13)7-1-2-8(28)9(29)3-7/h1-5,14,17,19-29,31-38H,6H2/t14?,17-,19+,20-,21?,22?,23+,24+,25+,26?/m1/s1
Other Databases Link
PubChem:44257935

  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
asparagus
banana
blueberry
broad_bean
broccoli
citrus
cowpea
eggplant
fig
ginger
kidney_bean
kiwifruit
lemon
lentil
lettuce
mung_bean
okra
onion
parsley
perilla
potato
tomato

  Metabolite Spectrum Accession Label

ADZ00400p
ASP00110n
BAN00484n
BLU00414n
BROB00062n
BROB00168p
BROB00578n
BROB00741n
BROB00786p
BROC00208n
BROC00282n
BROC00329n
BROC00419n
BROC00553n
BROC00741n
CIT00162n
CIT00344n
COW00498p
COW00713n
EGG00320n
EGG00324p
FIG00290p
GIN01301n
KID00135n
KID00194p
KID00675n
KID00877n
KIW00041p
KIW00141n
KIW00493p
LEM00375p
LEM00439n
LEM00521n
LEM00645n
LEM00898n
LEM01031p
LEN00515p
LEN00529n
LET00236n
LET00486p
LET00532n
MUN00304p
MUN00649n
OKR00021n
OKR00110n
OKR00735p
ONI00057p
ONI00180n
PAR00296n
PAR00400n
PAR00419p
PAR00463p
PAR00694p
PAR00701p
PAR00901n
PER00054p
PER00176n
PER00556n
PER01783p
POT00078n
POT00127p
TOM00027n