Ethyl tridecanoate (Q81993950)

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chemical compound

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Language	Label	Description	Also known as
English	Ethyl tridecanoate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

0 references

mass

242.2245802 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₃₀O₂

0 references

canonical SMILES

CCCCCCCCCCCCC(=O)OCC

0 references

found in taxon

Nepeta hindostana

1 reference

stated in

A triterpene acid from Nepeta hindostana

Houttuynia cordata

3 references

stated in

Variation in chemical composition and antibacterial activities of essential oils from two species of Houttuynia THUNB

stated in

Variation in chemical composition and antibacterial activities of essential oils from two species of Houttuynia THUNB

stated in

Tentative fingerprint-efficacy study of Houttuynia cordata injection in quality control of traditional Chinese medicine

Saussurea involucrata

1 reference

stated in

Components of the Essential Oil of Saussurea involucrata (Kar. et Kir.) ex Maxim

Mangifera indica

1 reference

stated in

Volatile components from mango (Mangifera indica L.) cultivars

Identifiers

InChI

InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

0 references

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

0 references

CAS Registry Number

28267-29-0

1 reference

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=28267-29-0

PubChem CID

119908

1 reference

matched by identifier from

InChIKey

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

ChEBI ID

172102

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

UniChem compound ID

24293466

1 reference

stated in

UniChem

ZVG number

495473

0 references

DSSTox substance ID

DTXSID8067369

1 reference

matched by identifier from

InChIKey

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0037786

0 references

Human Metabolome Database ID

HMDB0059833

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

KNApSAcK ID

C00030224

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

 

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Wikisource(0 entries)

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Wiktionary(0 entries)

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