(Q106315140)

1 February 2021

mass

195.053158 dalton

1 reference

dopaquinone (English)

5 October 2016

1 reference

0 references

C₉H₉NO₄

1 reference

dopaquinone (English)

20 November 2016

canonical SMILES

C1=CC(=O)C(=O)C=C1CC(C(=O)O)N

1 reference

dopaquinone (English)

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1

20 November 2016

isomeric SMILES

N[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

1 reference

dopaquinone (English)

20 November 2016

1 reference

CAS (formerly Chemical Abstracts Service)

dopaquinone (English)

20 November 2016

1 reference

25 January 2022

PubChem CID

44229226

1 reference

439316

1 reference

ChEBI ID

57924

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1

16852

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1

DSSTox substance ID

DTXSID50897220

1 reference

Human Metabolome Database ID

1 reference

HMDB0001229

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00053052

2 references

based on heuristic

inferred from InChIKey

UNII

8F09Y50AX6

1 reference