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

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ChEBI Name (3R,4R)-4,8-dihydroxy-3-((R)-2-hydroxypentyl)-6,7-dimethoxyisochroman-1-one
ChEBI ID CHEBI:70152
Definition A natural product found in Colletotrichum species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H22O7
Net Charge 0
Average Mass 326.34170
Monoisotopic Mass 326.13655
InChI InChI=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
InChIKey YVVVQBLWJYKSII-ZDSQKVDBSA-N
SMILES CCC[C@@H](O)C[C@H]1OC(=O)c2c(O)c(OC)c(OC)cc2[C@H]1O
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.
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ChEBI Ontology
Outgoing (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)
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:carboxylic ester(CHEBI:33308); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854);