quercetin-3,3'-bissulfate
Chemical Formula:
C15H7O13S2
Molecular Weight:
459.332 Daltons
Monoisotopic Mass:
461.9562817883 Daltons
SMILES:
C3(C(C1(=C(C(=O)C2(C(O1)=CC(=CC(O)=2)[O-]))OS(=O)(=O)[O-]))=CC(=C(O)C=3)OS(=O)([O-])=O)
InChI:
1S/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)/p-3
InChIKey:
Databases
MetaCyc:
QUERCETIN-33-BISSULFATE
ChEBI:
58305
PubChem (CID):
25201878
KEGG:
C01155
Seed:
cpd00849
MetaNetX:
MNXM2423