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CHEBI:70152 - (3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one

ChEBI IDCHEBI:70152
ChEBI Name(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
Stars
DefinitionA natural product found in Colletotrichum species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCCC[C@@H](O)C[C@H]1OC(=O)c2c(cc(OC)c(OC)c2O)[C@H]1O
InChIInChI=1S/C16H22O7/c1-4-5-8(17)6-10-13(18)9-7-11(21-2)15(22-3)14(19)12(9)16(20)23-10/h7-8,10,13,17-19H,4-6H2,1-3H3/t8-,10-,13-/m1/s1
InChIKeyYVVVQBLWJYKSII-ZDSQKVDBSA-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)
(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one (CHEBI:70152) has role metabolite (CHEBI:25212)
(3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one (CHEBI:70152) is a hydroxybenzoic acid (CHEBI:24676)
Citations