CHEBI:68113 - Metachromin U

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Metachromin U
ChEBI ID CHEBI:68113
Definition A natural product found in Thorecta reticulata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H30O3
Net Charge 0
Average Mass 342.47180
Monoisotopic Mass 342.21949
InChI InChI=1S/C22H30O3/c1-15-7-6-10-21(2,3)18(15)9-12-22(4)11-8-16-13-17(23)14-19(24-5)20(16)25-22/h8,11,13-14,18,23H,1,6-7,9-10,12H2,2-5H3
InChIKey OKZZLCIFQGFNCQ-UHFFFAOYSA-N
SMILES COc1cc(O)cc2C=CC(C)(CCC3C(=C)CCCC3(C)C)Oc12
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 U (CHEBI:68113) has role metabolite (CHEBI:25212)
Metachromin U (CHEBI:68113) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
2-[2-(2,2-Dimethyl-6-methylenecyclohexyl)ethyl]-8-methoxy-2-methyl-2H-chromen-6-ol ChEBI
Citation Waiting for Citations Type Source
21513294 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:1-benzopyran(CHEBI:38443); ISA:aromatic ether(CHEBI:35618); ISA:aromatic alcohol(CHEBI:33854);