CHEBI:68115 - Metachromin W

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Metachromin W
ChEBI ID CHEBI:68115
Definition A natural product found in Thorecta reticulata.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26O3
Net Charge 0
Average Mass 338.44000
Monoisotopic Mass 338.18819
InChI InChI=1S/C22H26O3/c1-14-6-5-11-22(2,3)18(14)10-8-15-7-9-16-17(12-15)19(23)13-20(25-4)21(16)24/h7,9,12-13,18H,1,5-6,8,10-11H2,2-4H3
InChIKey QIXSHDMCYJRFNH-UHFFFAOYSA-N
SMILES COC1=CC(=O)c2cc(CCC3C(=C)CCCC3(C)C)ccc2C1=O
Metabolite of Species Details
Thorecta reticulata (NCBI:txid1162800) Methanolic extract of freeze dried animal material See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Metachromin W (CHEBI:68115) has role metabolite (CHEBI:25212)
Metachromin W (CHEBI:68115) is a 1,4-naphthoquinones (CHEBI:132142)
Metachromin W (CHEBI:68115) is a enol ether (CHEBI:47985)
Synonym Source
6-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-2-methoxy-1,4-naphthoquinone ChEBI
Citation Waiting for Citations Type Source
21513294 PubMed citation Europe PMC
Last Modified
07 June 2016
General Comment
2014-10-17 Suggested Classification: ISA:aromatic ketone(CHEBI:76224); ISA:p-quinone(CHEBI:25830); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532);