CHEBI:183709 - JWH-018 N-(3-methylbutyl) isomer

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name JWH-018 N-(3-methylbutyl) isomer
ChEBI ID CHEBI:183709
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H23NO
Net Charge 0
Average Mass 341.454
Monoisotopic Mass 341.17796
InChI InChI=1S/C24H23NO/c1-17(2)14-15-25-16-22(20-11-5-6-13-23(20)25)24(26)21-12-7-9-18-8-3-4-10-19(18)21/h3-13,16-17H,14-15H2,1-2H3
InChIKey BBNUROBSKAJPGN-UHFFFAOYSA-N
SMILES O=C(C=1C=2C(N(CCC(C)C)C1)=CC=CC2)C=3C=4C(C=CC3)=CC=CC4
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
ChEBI Ontology
Outgoing JWH-018 N-(3-methylbutyl) isomer (CHEBI:183709) is a indolecarboxamide (CHEBI:46921)
IUPAC Name
[1-(3-methylbutyl)indol-3-yl]-naphthalen-1-ylmethanone
Manual Xref Database
26458652 ChemSpider
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