isorhamnetin 3, 4'-bisulfate
Chemical Formula:
C16H9O13S2
Molecular Weight:
473.359 Daltons
Monoisotopic Mass:
475.9719318525 Daltons
SMILES:
COC1(=CC(=CC=C(OS(=O)(=O)[O-])1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)))
InChI:
1S/C16H12O13S2/c1-26-11-4-7(2-3-10(11)28-30(20,21)22)15-16(29-31(23,24)25)14(19)13-9(18)5-8(17)6-12(13)27-15/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)/p-3
InChIKey:
Databases
MetaCyc:
CPD-11018
PubChem (CID):
45479344
MetaNetX:
MNXM18770