CHEBI:183065 - Panicein A

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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 Panicein A
ChEBI ID CHEBI:183065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H26O3
Net Charge 0
Average Mass 338.447
Monoisotopic Mass 338.18819
InChI InChI=1S/C22H26O3/c1-14(6-8-18-13-19(23)9-11-21(18)24)7-10-20-15(2)12-22(25-5)17(4)16(20)3/h6,9,11-13H,7-8,10H2,1-5H3/b14-6+
InChIKey NXLCEZDPQUVCRS-MKMNVTDBSA-N
SMILES O(C1=C(C(=C(CC/C(=C/CC=2C(=O)C=CC(=O)C2)/C)C(=C1)C)C)C)C
Metabolite of Species Details
Haliclona mucosa (NCBI:txid608209) Found in Whole Organism (NCIT:C13413) See: MetaboLights Study
ChEBI Ontology
Outgoing Panicein A (CHEBI:183065) is a monoterpenoid (CHEBI:25409)
IUPAC Name
2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]cyclohexa-2,5-diene-1,4-dione
Manual Xref Database
9602606 ChemSpider
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