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Kaempferol hexoside

C42H45O22 610.5 g/mol
H O O O H O H O O H O O O O O O H O H O H H O O H O O H O O H H O H O
Name Kaempferol hexoside
Alternative name Nicotiflorin
Formula C42H45O22
Formula Weight 901.79 g/mol
Molecular Weight 610.50 g/mol
Monoisotopic Mass 901.240000 g/mol
InChI Key HFNAWTPFBXBKFK-PGKIHVCZSA-N
IUPAC 3,5-dihydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
InChI InChI=1S/C33H38O22/c34-7-14-17(38)20(41)24(45)32(51-14)55-29-22(43)18(39)15(8-35)52-33(29)53-27-19(40)16-12(37)5-11(6-13(16)50-26(27)9-1-3-10(36)4-2-9)49-31-25(46)21(42)23(44)28(54-31)30(47)48/h1-6,14-15,17-18,20-25,28-29,31-39,41-46H,7-8H2,(H,47,48)
SMILES OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=C(OC3=CC(OC4OC(C(O)C(O)C4O)C(O)=O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C(O)C1O
Food Berry, 
Food Source Strawberry, 
Family Phenolic
Class Flavonoid
Subclass Group Flavonol derivative
Subclass Flavonol
Metabolite Flavonol metabolite
CASNO No CAS
HMDB HMDB0038769
PubChem 44258981
KEGG C12249
FooDB FDB018186
DrugBank DB01852
ChEBI 139410
BioCyc CPD1F-453
METLIN 3445.0