triiodothyroacetate ester glucuronide
Chemical Formula:
C20H16O10I3
Molecular Weight:
797.054 Daltons
Monoisotopic Mass:
797.7955757666999 Daltons
SMILES:
C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
InChI:
1S/C20H17I3O10/c21-9-6-8(1-2-12(9)24)31-17-10(22)3-7(4-11(17)23)5-13(25)32-20-16(28)14(26)15(27)18(33-20)19(29)30/h1-4,6,14-16,18,20,24,26-28H,5H2,(H,29,30)/p-1/t14-,15-,16+,18-,20+/m0/s1
InChIKey:
Synonyms
- triiodothyroacetic acid ester glucuronide
Databases
MetaCyc:
CPD-11412
PubChem (CID):
90659348
Seed:
cpd22942
MetaNetX:
MNXM22177