(Q82252225)

English

Hydroxycotinine

group of stereoisomers with the chemical formula C₁₀H₁₂N₂O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

192.089877624 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₂N₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C(=O)C(O)CC1c1cccnc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CN1C(=O)C(O)C[C@H]1c1cccnc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1

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InChIKey

XOKCJXZZNAUIQN-IENPIDJESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XOKCJXZZNAUIQN-IENPIDJESA-N

ChEBI ID

189719

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1

1 reference

1 reference

matched by identifier from

InChIKey

XOKCJXZZNAUIQN-IENPIDJESA-N

DSSTOX compound identifier

DTXCID80387705

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Human Metabolome Database ID

HMDB0001390

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XOKCJXZZNAUIQN-IENPIDJESA-N

Probes And Drugs ID

PD018048

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(Q82252225)

Hydroxycotinine

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Identifiers

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