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M  END
> <ID>
CHEBI:28919

> <NAME>
estrone 3-O-(beta-D-glucuronide)

> <DEFINITION>
The 3-β-D-glucuronide of estrone.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23973; CHEBI:42342; CHEBI:4872

> <SYNONYM>
Estrone glucuronide; Estrone beta-D-glucuronide; Estrone 3-glucuronide; estrone 3-glucosiduronic acid

> <IUPAC_NAME>
17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid

> <FORMULA>
C24H30O8

> <MASS>
446.491

> <MONOISOTOPIC_MASS>
446.19407

> <CHARGE>
0

> <SMILES>
C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]

> <INCHI>
InChI=1S/C24H30O8/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/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1

> <INCHIKEY>
FJAZVHYPASAQKM-JBAURARKSA-N

> <CAS_REGISTRY_NUMBER>
2479-90-5

> <KEGG_COMPOUND_ACCESSION>
C11133

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMST05010011

> <PUBMED_CITATION>
9261086

$$$$