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CHEBI:175586 - 17-beta-Estradiol-3-glucuronide

ChEBI IDCHEBI:175586
ChEBI Name17-beta-Estradiol-3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
SMILES[H][C@@]12CCc3cc(OC4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)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)/t14-,15-,16+,17+,18+,19+,20-,21+,23?,24+/m1/s1
InChIKeyMUOHJTRCBBDUOW-BFXFFQJBSA-N
ChEBI Ontology
Outgoing Relation(s)
17-beta-Estradiol-3-glucuronide (CHEBI:175586) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name 
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
LMST05010058LIPID MAPS
C05503KEGG COMPOUND
18667985ChemSpider
HMDB0006224HMDB