CHEBI:67971 - (-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one

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ChEBI Name (-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one
ChEBI ID CHEBI:67971
Definition A natural product found in Conoideocrella tenuis.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H20O9
Net Charge 0
Average Mass 368.33530
Monoisotopic Mass 368.11073
InChI InChI=1S/C17H20O9/c1-7-3-8-4-9(5-10(19)12(8)16(22)24-7)25-17-14(21)13(20)15(23-2)11(6-18)26-17/h3-5,11,13-15,17-21H,6H2,1-2H3/t11-,13-,14-,15-,17-/m1/s1
InChIKey JJNFYWPRBHMFEY-WDGOXLLCSA-N
SMILES CO[C@@H]1[C@@H](CO)O[C@@H](Oc2cc(O)c3c(cc(C)oc3=O)c2)[C@H](O)[C@H]1O
Metabolite of Species Details
Conoideocrella tenuis (NCBI:txid1105321) Ethyl acetate extract of culture broth of strain BCC 18627 See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via (-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one )
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ChEBI Ontology
Outgoing (-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one (CHEBI:67971) has role metabolite (CHEBI:25212)
(-)-6-((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-2-yloxy)-8-hydroxy-3-methyl-1H-isochromen-1-one (CHEBI:67971) is a isocoumarins (CHEBI:38758)
Citation Waiting for Citations Type Source
21473608 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:glycoside(CHEBI:24400); ISA:2-benzopyran(CHEBI:38444); ISA:pyranone(CHEBI:37963); ISA:phenols(CHEBI:33853); ISA:oxanes(CHEBI:46942); ISA:monosaccharide(CHEBI:35381); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854); ISA:primary alcohol(CHEBI:15734);