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CHEBI:213757 - 6-[5-(2,3-dihydroxy-1-carboxyglyceride)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one

ChEBI IDCHEBI:213757
ChEBI Name6-[5-(2,3-dihydroxy-1-carboxyglyceride)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O8
Net Charge0
Average Mass394.420
Monoisotopic Mass394.16277
SMILESCOc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OC[C@@H](O)CO)C(=O)OC2
InChIInChI=1S/C20H26O8/c1-11(5-7-16(23)27-9-13(22)8-21)4-6-14-18(24)17-15(10-28-20(17)25)12(2)19(14)26-3/h4,13,21-22,24H,5-10H2,1-3H3/t13-/m0/s1
InChIKeyAGANHPVGHKGEKN-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium bialowiezense (ncbitaxon:293381) - PubMed (29986508)
ChEBI Ontology
Outgoing Relation(s)
6-[5-(2,3-dihydroxy-1-carboxyglyceride)-3-methylpent-2-enyl]-7-hydroxy-5-methoxy-4-methylphthalan-1-one (CHEBI:213757) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
2,3-dihydroxypropyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)-4-methylhex-4-enoate
Manual XrefsDatabases
78435272ChemSpider