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CHEBI:225534 - 2-O-methylalternariol 4-O-beta-[4-methoxyl-glucopyranoside]

ChEBI IDCHEBI:225534
ChEBI Name2-O-methylalternariol 4-O-beta-[4-methoxyl-glucopyranoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H26O9
Net Charge0
Average Mass446.452
Monoisotopic Mass446.15768
SMILESCOc1cc(OC2CC(CO)C(OC)C(O)C2O)cc2c1c(=O)oc1cc(O)cc(C)c12
InChIInChI=1S/C23H26O9/c1-10-4-12(25)6-16-18(10)14-7-13(8-15(29-2)19(14)23(28)32-16)31-17-5-11(9-24)22(30-3)21(27)20(17)26/h4,6-8,11,17,20-22,24-27H,5,9H2,1-3H3
InChIKeyPDRMBHJHPAWGEC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (25520187)
ChEBI Ontology
Outgoing Relation(s)
2-O-methylalternariol 4-O-beta-[4-methoxyl-glucopyranoside] (CHEBI:225534) is a coumarins (CHEBI:23403)
IUPAC Name 
9-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-3-hydroxy-7-methoxy-1-methylbenzo[c]chromen-6-one
Manual XrefsDatabases
78444693ChemSpider