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CHEBI:70148 - Monocerin

ChEBI IDCHEBI:70148
ChEBI NameMonocerin
Stars
DefinitionA natural product found in Colletotrichum species.
Secondary ChEBI IDCHEBI:6978
Last Modified22 September 2014
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILES[H][C@@]12C[C@H](CCC)O[C@]1([H])c1cc(OC)c(OC)c(O)c1C(=O)O2
InChIInChI=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
InChIKeyVAYQNUBOZLPGDH-OLXJLDBKSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:34409) - PubMed (21174408) Crude ethylacetate extract of culture broth of endophytic fungus isolated from Piper ornatum Strain: CRI535 02
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Monocerin (CHEBI:70148) has role metabolite (CHEBI:25212)
Monocerin (CHEBI:70148) is a hydroxybenzoic acid (CHEBI:24676)
Synonyms  Source
(2S,3aR,9bR)-6-hydroxy-7,8-dimethoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-oneChEBI
MonocerinKEGG COMPOUND
Manual XrefsDatabases
C00003006KNApSAcK
C09953KEGG COMPOUND
Registry NumbersSources
CAS:30270-60-1KEGG COMPOUND
CAS:30270-60-1ChemIDplus
Citations