quercetin 3, 4', 7-trisulfate

Chemical Formula:

C₁₅H₇O₁₆S₃

Molecular Weight:

539.391 Daltons

Monoisotopic Mass:

541.9130963446 Daltons

SMILES:

C1(C=C(OS(=O)(=O)[O-])C(O)=CC=1C2(OC3(C=C(C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)OS(=O)(=O)[O-])))

InChI:

1S/C15H10O16S3/c16-8-3-6(1-2-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-3

InChIKey:

OHGDJKUWKHBWFH-UHFFFAOYSA-K

Synonyms

quercetin 3, 7, 4'-trisulfate

Databases

MetaCyc: CPD-10893

ChEBI: 28167

ChemSpider: 10289882

PubChem (CID): 21676176

Seed: cpd02425

MetaNetX: MNXM723001

KEGG: C03898