(Q82854867)

English

Butanoic acid, 2-methyl-, pentyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

mass

172.14632988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₀H₂₀O₂

0 references

canonical SMILES

O=C(OCCCCC)C(C)CC

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found in taxon

Chrysanthemum morifolium

1 reference

stated in

Identification of floral scent in chrysanthemum cultivars and wild relatives by gas chromatography-mass spectrometry.

Capsicum annuum

1 reference

stated in

Influence of different drying technologies on the volatile components of chilli (<I>Capsicum annuum</I> L.) powder

Identifiers

InChI

InChI=1S/C10H20O2/c1-4-6-7-8-12-10(11)9(3)5-2/h9H,4-8H2,1-3H3

0 references

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

0 references

1 reference

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=68039-26-9

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

2 references

26 December 2021

matched by identifier from

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL2418446

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP007090

0 references

DSSTox substance ID

DTXSID50867443

1 reference

matched by identifier from

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID30815629

0 references

FL number

09.679

1 reference

quotation

CAS no.: 68039-26-9 (English)

23 January 2021

09.679

Human Metabolome Database ID

HMDB0303865

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

KNApSAcK ID

C00062674

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RHNBXPIJLXBHMF-UHFFFAOYSA-N

(Q82854867)

Butanoic acid, 2-methyl-, pentyl ester

Statements

Identifiers

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