Compound - MetaboFood

Name	Quercetin-o-hexoside
Alternative name	Q glucuronide sulfate; Quercetin 3-glucuronide-3'-sulfate
Formula	C₂₁H₁₈O₁₆S
Formula Weight	558.40 g/mol
Molecular Weight	558.40 g/mol
Monoisotopic Mass	558.032000 g/mol
InChI Key	BHFKPZSIVFOJEX-ROQVLGAUSA-N
IUPAC	(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Quercetin-o-hexoside