(Q82099892)

English

Methyl 5-methylhexanoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

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144.115029752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₆O₂

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canonical SMILES

CC(C)CCCC(=O)OC

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Humulus lupulus

2 references

Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis.

Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization

Identifiers

InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3

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VMHVFMBDCWCBHO-UHFFFAOYSA-N

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CAS Registry Number

1 reference

VMHVFMBDCWCBHO-UHFFFAOYSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2177-83-5

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mapping relation type

1 reference

ChEBI release 2022-06-13

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VMHVFMBDCWCBHO-UHFFFAOYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

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Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VMHVFMBDCWCBHO-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from InChIKey

1 reference

matched by identifier from

VMHVFMBDCWCBHO-UHFFFAOYSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

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