CHEBI:224457 - PJ157

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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 PJ157
ChEBI ID CHEBI:224457
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28N2O3
Net Charge 0
Average Mass 368.477
Monoisotopic Mass 368.20999
InChI InChI=1S/C22H28N2O3/c1-15(2)6-5-7-16(3)12-13-27-19-10-8-18(9-11-19)14-20-22(26)23-17(4)21(25)24-20/h6,8-12,14,17H,5,7,13H2,1-4H3,(H,23,26)(H,24,25)/b16-12+,20-14+/t17-/m0/s1
InChIKey WJYQOEOGXGQMEU-MSODBRDKSA-N
SMILES O=C/1N[C@H](C(=O)N\C1=C\C2=CC=C(OC/C=C(/CCC=C(C)C)\C)C=C2)C
Metabolite of Species Details
Gliocladium (NCBI:txid62887) See: PubMed
ChEBI Ontology
Outgoing PJ157 (CHEBI:224457) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-6-methylpiperazine-2,5-dione
Manual Xref Database
23076639 ChemSpider
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