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CHEBI:67767 - (R)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one

ChEBI IDCHEBI:67767
ChEBI Name(R)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one
Stars
DefinitionA natural product found in Leptosphaeria species and Halorosellinia oceanica.
Last Modified22 September 2014
DownloadsMolfile
FormulaC13H14O5
Net Charge0
Average Mass250.250
Monoisotopic Mass250.08412
SMILESC=C1OC(=O)c2c(O)cc(OC)c(C)c2[C@@]1(C)O
InChIInChI=1S/C13H14O5/c1-6-9(17-4)5-8(14)10-11(6)13(3,16)7(2)18-12(10)15/h5,14,16H,2H2,1,3-4H3/t13-/m0/s1
InChIKeyKVGGUNZKZGOZHC-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Halorosellinia oceanica (ncbitaxon:190947) - PubMed (21265556)
Leptospeciesaeria (ncbitaxon:5021) - PubMed (21265556) Ethylacetate extract of culture broth Strain: KTC 727
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)
(R)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one (CHEBI:67767) has role metabolite (CHEBI:25212)
(R)-3,4-Dihydro-4,8-dihydroxy-6-methoxy-4,5-dimethyl-3-methyleneisochromen-1-one (CHEBI:67767) is a hydroxybenzoic acid (CHEBI:24676)
Citations