quercetin 3-sulfate

Chemical Formula:

C₁₅H₈O₁₀S

Molecular Weight:

380.282 Daltons

Monoisotopic Mass:

381.99946723200003 Daltons

SMILES:

C1(C(=CC(=C(C=1)O)O)C3(OC2(C(=C(C=C(C=2)[O-])O)C(C(OS(=O)(=O)[O-])=3)=O)))

InChI:

1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)/p-2

InChIKey:

DNAYVNOVGHZZLH-UHFFFAOYSA-L

Databases

MetaCyc: CPD-1822

ChEBI: 58254

PubChem (CID): 25203115

KEGG: C00616

Seed: cpd00471

MetaNetX: MNXM1591