(Q74417015)

English

4-hydroxyestrone 4-O-(beta-D-glucuronide)(1-)

anion

In more languages

Statements

type of chemical entity

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monocarboxylic acid anion

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461.18170608790984 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₄H₂₉O₉⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC3c4ccc(O)c(OC5OC(C(=O)[O-])C(O)C(O)C5O)c4CCC3C1CCC2=O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O

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Identifiers

InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,17-19,21,23,25,27-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1

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XSEHSKUBWMKIFT-ATASCAFHSA-M

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ChEBI release 2019-11-01

ChEBI release 2020-09-01

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matched by identifier from

XSEHSKUBWMKIFT-ATASCAFHSA-M

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,17-19,21,23,25,27-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1

UniChem compound ID

1 reference

1 reference

matched by identifier from

XSEHSKUBWMKIFT-ATASCAFHSA-M

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