17β-estradiol 17-glucosiduronate
Chemical Formula:
C24H31O8
Molecular Weight:
447.504 Daltons
Monoisotopic Mass:
448.20971800399997 Daltons
SMILES:
CC34(CC[CH]1(C5(C=CC(O)=CC(CC[CH]1[CH](CCC(OC2(C(O)C(O)C(O)C(C(=O)[O-])O2))3)4)=5)))
InChI:
1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey:
Synonyms
- estradiol-17β-glucuronide
- glucuronosylestradiol
Databases
MetaCyc:
CPD-21227
KEGG:
C11237
ChEBI:
82961
PubChem (CID):
443090