CHEBI:183068 - Panicein B3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B3
ChEBI ID CHEBI:183068
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H24O4
Net Charge 0
Average Mass 340.419
Monoisotopic Mass 340.16746
InChI InChI=1S/C21H24O4/c1-13(4-6-16-11-17(23)7-9-20(16)24)5-8-18-14(2)10-21(25)19(12-22)15(18)3/h4,7,9-12,23-25H,5-6,8H2,1-3H3/b13-4+
InChIKey BCYBPYQVUROVFP-YIXHJXPBSA-N
SMILES OC1=C(C(=C(CC/C(=C/CC2=C(O)C=CC(O)=C2)/C)C(=C1)C)C)C=O
Metabolite of Species Details
Haliclona mucosa (NCBI:txid608209) Found in Whole Organism (NCIT:C13413) See: MetaboLights Study
ChEBI Ontology
Outgoing Panicein B3 (CHEBI:183068) is a monoterpenoid (CHEBI:25409)
IUPAC Name
3-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-6-hydroxy-2,4-dimethylbenzaldehyde
Manual Xref Database
4578358 ChemSpider
View more database links
Last Modified
22 August 2023