(3E,5E)-octa-3,5-dien-2-one (Q76304650)

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chemical compound

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Language	Label	Description	Also known as
English	(3E,5E)-octa-3,5-dien-2-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

Octa-3,5-dien-2-one

1 reference

based on heuristic

inferred from InChIKey

mass

124.088815004 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₂O

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canonical SMILES

O=C(C=CC=CCC)C

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isomeric SMILES

CC/C=C/C=C/C(=O)C

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found in taxon

Matricaria chamomilla

1 reference

stated in

Propagation Method and Distillation Apparatus Type Affect Essential Oil from Different Parts of Matricaria recutita L. Plants

Chamomilla recutita

1 reference

stated in

Propagation Method and Distillation Apparatus Type Affect Essential Oil from Different Parts of Matricaria recutita L. Plants

Ceratophyllum demersum

1 reference

stated in

Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.

maize

1 reference

stated in

Volatile Flavor Components of Corn Tortillas and Related Products

Identifiers

InChI

InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+

0 references

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

0 references

CAS Registry Number

30086-02-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

5352876

1 reference

matched by identifier from

InChIKey

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

ChEBI ID

191436

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+

SureChEMBL ID

SCHEMBL309595

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

SCHEMBL309596

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

UniChem compound ID

31994565

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID701016433

1 reference

matched by identifier from

InChIKey

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

Human Metabolome Database ID

HMDB0032446

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

KNApSAcK ID

C00052668

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LWRKMRFJEUFXIB-YTXTXJHMSA-N

LIPID MAPS ID

LMFA12000017

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

 

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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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