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(Q74417574)
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English
17beta-estradiol 3-O-(beta-D-glucuronide)(1-)
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
carbohydrate acid derivative anion
0 references
mass
447.20244153190987
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
17alpha-estradiol 3-glucosiduronate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₄H₃₁O₈⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC3c4ccc(OC5OC(C(=O)[O-])C(O)C(O)C5O)cc4CCC3C1CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O
0 references
Identifiers
InChI
InChI=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)/p-1/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
0 references
InChIKey
MUOHJTRCBBDUOW-QXYWQCSFSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
126456498
0 references
ChEBI ID
136641
mapping relation type
exact match
0 references
UniChem compound ID
150758013
1 reference
stated in
UniChem
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