Panicein C (CHEBI:183069)

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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 C

ChEBI ID	CHEBI:183069

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H24O5

Net Charge

Average Mass

356.418

Monoisotopic Mass

356.16237

InChI

InChI=1S/C21H24O5/c1-12(4-6-15-10-16(23)7-9-19(15)24)5-8-17-13(2)18(11-22)21(26)20(25)14(17)3/h4,7,9-11,23-26H,5-6,8H2,1-3H3/b12-4+

InChIKey

KTKUNEUPWDRROX-UUILKARUSA-N

SMILES

OC1=C(C(CC/C(=C/CC2=C(O)C=CC(O)=C2)/C)=C(C(=C1O)C=O)C)C

Metabolite of Species	Details
Haliclona mucosa (NCBI:txid608209)	Found in Whole Organism (NCIT:C13413) See: MetaboLights Study

ChEBI Ontology
Outgoing	Panicein C (CHEBI:183069) is a monoterpenoid (CHEBI:25409)

IUPAC Name

5-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-2,3-dihydroxy-4,6-dimethylbenzaldehyde

Last Modified

22 August 2023