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CHEBI:227829 - Macrophin

ChEBI IDCHEBI:227829
ChEBI NameMacrophin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O8
Net Charge0
Average Mass352.339
Monoisotopic Mass352.11582
SMILESCOC(=O)/C=C/c1oc(=O)c(COC(=O)C=C(C)C)c(OC)c1CO
InChIInChI=1S/C17H20O8/c1-10(2)7-15(20)24-9-12-16(23-4)11(8-18)13(25-17(12)21)5-6-14(19)22-3/h5-7,18H,8-9H2,1-4H3/b6-5+
InChIKeyYVTIJGPTRUSDKT-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Macrophoma (ncbitaxon:108329) - DOI (10.1248/cpb.36.1328)
ChEBI Ontology
Outgoing Relation(s)
Macrophin (CHEBI:227829) is a pyranone (CHEBI:37963)
IUPAC Name 
[5-(hydroxymethyl)-4-methoxy-6-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-oxopyran-3-yl]methyl 3-methylbut-2-enoate
Manual XrefsDatabases
8264877ChemSpider