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CHEBI:67970 - (-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)

ChEBI IDCHEBI:67970
ChEBI Name(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside)
Stars
DefinitionA natural product found in Conoideocrella tenuis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC18H22O10
Net Charge0
Average Mass398.364
Monoisotopic Mass398.12130
SMILESCOc1c(O[C@@H]2O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]2O)cc(O)c2c(=O)oc(C)cc12
InChIInChI=1S/C18H22O10/c1-7-4-8-12(17(23)26-7)9(20)5-10(15(8)24-2)27-18-14(22)13(21)16(25-3)11(6-19)28-18/h4-5,11,13-14,16,18-22H,6H2,1-3H3/t11-,13-,14-,16-,18-/m1/s1
InChIKeyAQZCWLSWPSBFPW-RLFYXJIXSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella tenuis (ncbitaxon:1105321) - PubMed (21473608) Strain: BCC 18627
Roles Classification
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)
(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside) (CHEBI:67970) has role metabolite (CHEBI:25212)
(-)-6,8-Dihydroxy-5-methoxy-3-methylisocoumarin 6-O-(4-O-methyl-beta-D-glucopyranoside) (CHEBI:67970) is a isocoumarins (CHEBI:38758)
Citations