homoveratric acid (Q10395556)

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chemical compound

• (3,4-dimethoxyphenyl)acetic acid

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Language	Label	Description	Also known as
English	homoveratric acid	chemical compound	(3,4-dimethoxyphenyl)acetic acid

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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chemical structure

3,4-dimethoxyphenylacetic acid.svg
512 × 193; 19 KB

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mass

196.073558864 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₁₂O₄

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canonical SMILES

COC1=C(C=C(C=C1)CC(=O)O)OC

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melting point

97.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Olea europaea

2 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

Zingiber officinale

1 reference

stated in

Inhibitory effects of Zingiber officinale Roscoe derived components on aldose reductase activity in vitro and in vivo

Identifiers

InChI

InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)

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InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

93-40-3

1 reference

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=93-40-3

PubChem CID

7139

1 reference

matched by identifier from

InChIKey

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

ChEBI ID

86655

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)

SureChEMBL ID

SCHEMBL153055

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

UniChem compound ID

24661864

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP010381

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MSBNK-Fac_Eng_Univ_Tokyo-JP007235

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NMRShiftDB structure ID

20040369

1 reference

matched by identifier from

InChIKey

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

DSSTox substance ID

DTXSID5059086

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID6048836

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NSC number

2753

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27897

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EC number

202-244-5

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.041

retrieved

27 December 2018

title

3,4-dimethoxyphenylacetic acid (English)

quotation

CAS no.: 93-40-3 (English)

ECHA Substance Infocard ID

100.002.041

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.041

retrieved

27 December 2018

title

3,4-dimethoxyphenylacetic acid (English)

quotation

CAS no.: 93-40-3 (English)

Human Metabolome Database ID

HMDB0000434

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

UNII

YY50GIT3C7

1 reference

matched by identifier from

InChIKey

InChIKey

WUAXWQRULBZETB-UHFFFAOYSA-N

Probes And Drugs ID

PD055395

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Google Knowledge Graph ID

/g/12323fwkb

0 references

 

Sitelinks

Wikipedia(1 entry)

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• ptwiki Ácido 3,4-dimetoxifenilacetico

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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