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:
Synonyms
- quercetin 3, 7, 4'-trisulfate
Databases
MetaCyc:
CPD-10893
ChEBI:
28167
ChemSpider:
10289882
PubChem (CID):
21676176
Seed:
cpd02425
MetaNetX:
MNXM723001
KEGG:
C03898