(Q25384949)

1-Hepten-3-one (English)

9 October 2016

chemical formula

C₇H₁₂O

1 reference

1-Hepten-3-one (English)

9 October 2016

canonical SMILES

CCCCC(=O)C=C

1 reference

Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus

1-Hepten-3-one (English)

9 October 2016

1 reference

Identifiers

InChI

InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3

1 reference

1-Hepten-3-one (English)

9 October 2016

2 references

1-Hepten-3-one (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

https://commonchemistry.cas.org/detail?cas_rn=2918-13-0

1-hepten-3-one (English)

9 October 2016

7 April 2021

1 reference

1-Hepten-3-one (English)

9 October 2016

2 references

1-Hepten-3-one (English)

9 October 2016

Reaxys registry number

1700018

1 reference

1-hepten-3-one (English)

9 October 2016

ChEBI ID

87567

mapping relation type

2 references

1-hepten-3-one (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h4H,2-3,5-6H2,1H3

SureChEMBL ID

SCHEMBL182308

2 references

based on heuristic

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20221584

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID50183438

2 references

stated in

DSSTOX compound identifier

DTXCID60105929

0 references

Human Metabolome Database ID

HMDB0303836

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00061300

2 references

based on heuristic

inferred from InChIKey

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

1 reference