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CHEBI:70149 - (2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one

ChEBI IDCHEBI:70149
ChEBI Name(2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one
Stars
DefinitionA natural product found in Colletotrichum species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILES[H][C@@]12C[C@H](CCC)O[C@]1([H])c1cc(OC)c(O)c(O)c1C(=O)O2
InChIInChI=1S/C15H18O6/c1-3-4-7-5-10-14(20-7)8-6-9(19-2)12(16)13(17)11(8)15(18)21-10/h6-7,10,14,16-17H,3-5H2,1-2H3/t7-,10+,14+/m0/s1
InChIKeyXFTQOARYRNZEFJ-LTRYTXMFSA-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)
(2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one (CHEBI:70149) has role metabolite (CHEBI:25212)
(2S,3aR,9bR)-6,7-dihydroxy-8-methoxy-2-propyl-3,3a-dihydro-2H-furo[3,2-c]isochromen-5(9bH)-one (CHEBI:70149) is a hydroxybenzoic acid (CHEBI:24676)
Citations