Met001055: kaempferol-7-O-neohesperidoside
Metabolite Information
Name
kaempferol-7-O-neohesperidoside
IUPAC Name
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular Formula
C27H30O15
Molecular Weight
594.5
Exact Mass
594.1584703
SMILES
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChIKey
ZEJXENDZTYVXDP-CSJHBIPPSA-N
InChI
InChI=1S/C27H30O15/c1-9-17(31)20(34)23(37)26(38-9)42-25-21(35)18(32)15(8-28)41-27(25)39-12-6-13(30)16-14(7-12)40-24(22(36)19(16)33)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-21,23,25-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,23+,25+,26-,27+/m0/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
cassava
wheat
leonurus
adzuki_bean
asparagus
broad_bean
fig
kidney_bean
kiwifruit
lemon
lentil
lettuce
mung_bean
peanut
wheat
leonurus
adzuki_bean
asparagus
broad_bean
fig
kidney_bean
kiwifruit
lemon
lentil
lettuce
mung_bean
peanut
Metabolite Spectrum Accession Label
ADZ00058n
ASP00318n
ASP00568n
BROB00064n
FIG00020p
FIG00022p
FIG00024p
FIG00025p
FIG00026p
FIG00027p
FIG00033p
FIG00043p
FIG00060p
FIG00073p
FIG00077p
FIG00084p
FIG00090p
FIG00095p
FIG00096p
FIG00109p
FIG00115p
FIG00118p
FIG00120p
FIG00126p
FIG00127p
FIG00134p
FIG00148p
FIG00155p
FIG00156p
FIG00164p
FIG00165p
FIG00168p
FIG00169p
FIG00174p
FIG00183p
FIG00199p
FIG00215p
FIG00231p
FIG00232n
FIG00233p
FIG00235p
FIG00239p
FIG00248p
FIG00250p
FIG00253p
FIG00255p
FIG00286p
FIG00288p
FIG00294p
FIG00307p
FIG00310p
FIG00313n
FIG00314p
FIG00317p
FIG00320p
FIG00327p
FIG00336p
FIG00345p
FIG00356p
FIG00376p
FIG00379p
FIG00383p
FIG00388p
FIG00390p
FIG00398p
FIG00407p
FIG00419p
FIG00420p
FIG00421p
FIG00426p
FIG00427p
FIG00434p
FIG00441p
FIG00447p
FIG00456p
FIG00460p
FIG00462n
FIG00470n
FIG00471p
FIG00473p
FIG00474p
FIG00477p
FIG00482p
FIG00488p
FIG00497p
FIG00499p
FIG00510p
FIG00539p
FIG00543p
FIG00545p
FIG00546n
FIG00549p
FIG00551p
FIG00552p
FIG00558p
FIG00563p
FIG00572p
FIG00574p
FIG00590p
FIG00594p
FIG00596p
FIG00601p
FIG00604p
FIG00605p
KID00105p
KIW00251p
LEM00052n
LEM00123n
LEM00305n
LEM00316n
LEM00367n
LEM00564n
LEM00802n
LEN00410p
LEN00698p
LET00051n
MUN00276p
MUN00286p
MUN00452n
MUN00521p
MUN00652n
MUN00698p
PEAN00841n
LEJAP03710p
CA02511p
CA01803n
WT01930p
ASP00318n
ASP00568n
BROB00064n
FIG00020p
FIG00022p
FIG00024p
FIG00025p
FIG00026p
FIG00027p
FIG00033p
FIG00043p
FIG00060p
FIG00073p
FIG00077p
FIG00084p
FIG00090p
FIG00095p
FIG00096p
FIG00109p
FIG00115p
FIG00118p
FIG00120p
FIG00126p
FIG00127p
FIG00134p
FIG00148p
FIG00155p
FIG00156p
FIG00164p
FIG00165p
FIG00168p
FIG00169p
FIG00174p
FIG00183p
FIG00199p
FIG00215p
FIG00231p
FIG00232n
FIG00233p
FIG00235p
FIG00239p
FIG00248p
FIG00250p
FIG00253p
FIG00255p
FIG00286p
FIG00288p
FIG00294p
FIG00307p
FIG00310p
FIG00313n
FIG00314p
FIG00317p
FIG00320p
FIG00327p
FIG00336p
FIG00345p
FIG00356p
FIG00376p
FIG00379p
FIG00383p
FIG00388p
FIG00390p
FIG00398p
FIG00407p
FIG00419p
FIG00420p
FIG00421p
FIG00426p
FIG00427p
FIG00434p
FIG00441p
FIG00447p
FIG00456p
FIG00460p
FIG00462n
FIG00470n
FIG00471p
FIG00473p
FIG00474p
FIG00477p
FIG00482p
FIG00488p
FIG00497p
FIG00499p
FIG00510p
FIG00539p
FIG00543p
FIG00545p
FIG00546n
FIG00549p
FIG00551p
FIG00552p
FIG00558p
FIG00563p
FIG00572p
FIG00574p
FIG00590p
FIG00594p
FIG00596p
FIG00601p
FIG00604p
FIG00605p
KID00105p
KIW00251p
LEM00052n
LEM00123n
LEM00305n
LEM00316n
LEM00367n
LEM00564n
LEM00802n
LEN00410p
LEN00698p
LET00051n
MUN00276p
MUN00286p
MUN00452n
MUN00521p
MUN00652n
MUN00698p
PEAN00841n
LEJAP03710p
CA02511p
CA01803n
WT01930p