methyl dihydrojasmonate (Q3144605)

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group of isomeric compounds

• methyl 2-(3-oxo-2-pentylcyclopentyl)acetate
• hedione

edit

Language	Label	Description	Also known as
English	methyl dihydrojasmonate	group of isomeric compounds	methyl 2-(3-oxo-2-pentylcyclopentyl)acetate hedione

Statements

instance of

group of isomeric entities

0 references

subclass of

chemical compound

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chemical structure

Methyl dihydrojasmonate Structural Formula V1.svg
261 × 283; 8 KB

0 references

mass

226.3125 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₂₂O₃

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canonical SMILES

O=C(OC)CC1CCC(=O)C1CCCCC

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boiling point

110 degree Celsius

under pressure

0.2 millimetre of mercury

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Identifiers

InChI

InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3

1 reference

reference URL

https://pubchem.ncbi.nlm.nih.gov/compound/102861

retrieved

April 2018

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

0 references

CAS Registry Number

24851-98-7

2 references

imported from Wikimedia project

English Wikipedia

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=24851-98-7

ChemSpider ID

92919

0 references

PubChem CID

102861

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ChEBI ID

195265

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3

SureChEMBL ID

SCHEMBL113649

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

UniChem compound ID

997431

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006001

0 references

MSBNK-RIKEN-PR100827

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ZVG number

134785

0 references

DSSTox substance ID

DTXSID2029325

1 reference

matched by identifier from

InChIKey

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID109325

0 references

EC number

246-495-9

1 reference

ECHA Substance Infocard ID

100.042.254

ECHA Substance Infocard ID

100.042.254

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.042.254

retrieved

27 December 2018

title

Methyl 3-oxo-2-pentylcyclopentaneacetate (English)

quotation

CAS no.: 24851-98-7 (English)

FL number

09.520

1 reference

quotation

CAS no.: 24851-98-7 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

09.520

CosIng number

35335

0 references

AICS Chemical ID (BEING DELETED)

15889

0 references

Human Metabolome Database ID

HMDB0031740

0 references

UNII

3GW44CIE3Y

1 reference

matched by identifier from

InChIKey

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

Probes And Drugs ID

PD000675

0 references

Freebase ID

/m/051_nq0

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Microsoft Academic ID

2777322010

0 references

 

Sitelinks

Wikipedia(9 entries)

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• azbwiki متیل دی‌هیدروجاسمونات
• dewiki Methyldihydrojasmonat
• enwiki Methyl dihydrojasmonate
• fawiki متیل دی‌هیدروجاسمونات
• fiwiki Metyylidihydrojasmonaatti
• frwiki Hédione
• huwiki Metil-dihidrojazmonát
• shwiki Metil dihidrojasmonat
• srwiki Metil dihidrojasmonat

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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