3,4-dihydroxyphenylacetic acid (Q4634071)

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chemical compound

• 2-(3,4-Dihydroxyphenyl)Acetic Acid

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Language	Label	Description	Also known as
English	3,4-dihydroxyphenylacetic acid	chemical compound	2-(3,4-Dihydroxyphenyl)Acetic Acid

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

168.042258736 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈H₈O₄

1 reference

stated in

PubChem

canonical SMILES

O=C(O)Cc1cc(O)c(O)cc1

1 reference

imported from Wikimedia project

English Wikipedia

melting point

129 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Secamone afzelii

1 reference

stated in

Phenolic acids in leaves of Secamone afzelii (Rhoem.) Schult. (Asclepiadaceae)

Tragopogon orientalis

1 reference

stated in

Phytochemical studies of the herb, Tragopogon orientalis L. (Asteraceae). 2. Components of a methanol extract

Olea europaea

4 references

stated in

Analysis by liquid chromatography-tandem mass spectrometry of biophenolic compounds in olives and vegetation waters, Part I

stated in

Analysis by liquid chromatography-tandem mass spectrometry of biophenolic compounds in virgin olive oil, Part II

stated in

Antioxidant Capacity and Phenolic Profile of Table Olives from the Greek Market

stated in

Biophenolic components of olives

Vanilla planifolia

1 reference

stated in

Bioactive aromatic compounds from leaves and stems of Vanilla fragrans

Homo sapiens

2 references

stated in

Recon 2.2: from reconstruction to model of human metabolism

stated in

A community-driven global reconstruction of human metabolism.

Liatris elegans

1 reference

stated in

New phenolic compounds from Liatris elegans

Salvia officinalis

1 reference

stated in

Total Phenolics, Flavonoids, and Antioxidant Activity of Sage (Salvia officinalis L.) Plants as Affected by Different Drying Methods

Tragopogon pratensis

1 reference

stated in

Phytochemical studies of the herb, Tragopogon orientalis L. (Asteraceae). 2. Components of a methanol extract

Identifiers

InChI

InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)

1 reference

stated in

PubChem

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

2 references

stated in

PubChem

stated in

ChEBI release 2020-09-01

CAS Registry Number

102-32-9

1 reference

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=102-32-9

ChemSpider ID

532

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

547

1 reference

imported from Wikimedia project

English Wikipedia

PubChem Substance ID (SID)

53788757

0 references

Reaxys registry number

2211017

0 references

Gmelin number

874810

0 references

ChEBI ID

41941

mapping relation type

exact match

2 references

imported from Wikimedia project

English Wikipedia

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)

ChEMBL ID

CHEMBL1284

1 reference

imported from Wikimedia project

English Wikipedia

SureChEMBL ID

SCHEMBL36348

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

UniChem compound ID

241412

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Osaka_Univ-OUF00044

0 references

MSBNK-RIKEN-PR010219

0 references

MSBNK-Kazusa-KZ000174

0 references

SPLASH

splash10-004i-0931000000-c4bb79d921fb42cf1b40

0 references

splash10-00di-9310000000-9490bd0ec921894341f4

0 references

splash10-014i-0900000000-709dd9faccdbbb3dc088

0 references

splash10-00di-0900000000-788d2d039bb0ad783071

0 references

splash10-00di-0900000000-e7357013f5a145ac7821

0 references

splash10-004i-0931000000-3fab9c521f7f85372b94

0 references

splash10-0b7b-5900000000-b9c31b81764e45ff5679

0 references

splash10-01i0-0900000000-53b93e179bd9224c623e

0 references

splash10-00di-0900000000-3e7377f36ca2547f4885

0 references

splash10-00di-2900000000-60e1fc55d54131c2923e

0 references

splash10-0fi0-9400000000-c63542b296bac95866e2

0 references

splash10-004i-0952000000-d45a1420d6ae61cb9169

0 references

NMRShiftDB structure ID

20039580

1 reference

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9074430

2 references

stated in

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID3032676

0 references

NSC number

73191

0 references

EC number

203-024-1

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.750

retrieved

27 December 2018

title

3,4-dihydroxyphenylacetic acid (English)

quotation

CAS no.: 102-32-9 (English)

ECHA Substance Infocard ID

100.002.750

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.750

retrieved

27 December 2018

title

3,4-dihydroxyphenylacetic acid (English)

quotation

CAS no.: 102-32-9 (English)

UM-BBD compound ID

c0272

0 references

MeSH descriptor ID

D015102

subject named as

3,4-Dihydroxyphenylacetic Acid

0 references

MeSH tree code

D02.241.223.601.220

0 references

DrugBank ID

DB01702

1 reference

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

Human Metabolome Database ID

HMDB0001336

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

KNApSAcK ID

C00040996

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

UNII

KEX5N0R4N5

1 reference

matched by identifier from

InChIKey

InChIKey

CFFZDZCDUFSOFZ-UHFFFAOYSA-N

Probes And Drugs ID

PD002747

0 references

KEGG ID

C01161

0 references

PDB ligand ID

DHY

0 references

Freebase ID

/m/08_z4m

0 references

Microsoft Academic ID

2775905480

0 references

OpenAlex ID

C2775905480

1 reference

stated in

OpenAlex

retrieved

26 January 2022

reference URL

https://docs.openalex.org/download-snapshot/snapshot-data-format

 

Sitelinks

Wikipedia(9 entries)

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• arwiki 4،3-ثنائي هيدروكسي فينيل حمض الأسيتيك
• azbwiki ۳٬۴-دی‌هیدروکسی‌فنیل‌استیک اسید
• enwiki 3,4-Dihydroxyphenylacetic acid
• fawiki ۳٬۴-دی‌هیدروکسی‌فنیل‌استیک اسید
• jawiki 3,4-ジヒドロキシフェニル酢酸
• kowiki 3,4-다이하이드록시페닐아세트산
• ptwiki Ácido 3,4-di-hidroxifenilacético
• shwiki 3,4-Dihidroksifenilsirćetna kiselina
• srwiki 3,4-Dihidroksifenilsirćetna kiselina

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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