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Myricetin-pentosylhex-oside

C27H30O18 642.5 g/mol
O H O O O O H O H O H O H O O H H O O H O H
Name Myricetin-pentosylhex-oside
Alternative name Myricetin 3-galactoside
Formula C27H30O18
Formula Weight 642.50 g/mol
Molecular Weight 642.50 g/mol
Monoisotopic Mass 642.143000 g/mol
InChI Key FOHXFLPXBUAOJM-UHFFFAOYSA-N
IUPAC 5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
InChI InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15+,17+,18-,21+/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@H]1O
Food Berry, 
Food Source Blueberry, 
Family Phenolic
Class Flavonoid
Subclass Group Flavonol derivative
Subclass Flavonol
Metabolite Flavonol metabolite
CASNO No CAS
HMDB HMDB0034358
PubChem 12311099
KEGG C10107
FooDB FDB012723
DrugBank DB02375
ChEBI 75815
BioCyc MYRICETIN
METLIN 3448.0