CHEBI:70148 - Monocerin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Monocerin
ChEBI ID CHEBI:70148
Definition A natural product found in Colletotrichum species.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:6978
Supplier Information
Download Molfile XML SDF
Formulae C16H20O6
C16H20O6
Net Charge 0
Average Mass 308.32640
Monoisotopic Mass 308.126
InChI InChI=1S/C16H20O6/c1-4-5-8-6-11-14(21-8)9-7-10(19-2)15(20-3)13(17)12(9)16(18)22-11/h7-8,11,14,17H,4-6H2,1-3H3/t8-,11+,14+/m0/s1
InChIKey VAYQNUBOZLPGDH-OLXJLDBKSA-N
SMILES [H][C@@]12C[C@H](CCC)O[C@]1([H])c1cc(OC)c(OC)c(O)c1C(=O)O2
Metabolite of Species Details
Colletotrichum (NCBI:txid34409) Crude ethylacetate extract of culture broth of endophytic fungus isolated from Piper ornatum of strain CRI535 02 See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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 Monocerin (CHEBI:70148) has role metabolite (CHEBI:25212)
Monocerin (CHEBI:70148) is a hydroxybenzoic acid (CHEBI:24676)
Synonyms Sources
(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one ChEBI
Monocerin KEGG COMPOUND
Manual Xrefs Databases
C00003006 KNApSAcK
C09953 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
30270-60-1 CAS Registry Number KEGG COMPOUND
30270-60-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21174408 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:2-benzopyran(CHEBI:38444); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:oxolanes(CHEBI:26912); ISA:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);