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CHEBI:215261 - Allantopyrone A

ChEBI IDCHEBI:215261
ChEBI NameAllantopyrone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H20O7
Net Charge0
Average Mass336.340
Monoisotopic Mass336.12090
SMILESC/C=C/C=C\C(=O)OCc1c(OC)c(CO)c(/C=C/CO)oc1=O
InChIInChI=1S/C17H20O7/c1-3-4-5-8-15(20)23-11-13-16(22-2)12(10-19)14(7-6-9-18)24-17(13)21/h3-8,18-19H,9-11H2,1-2H3/b4-3+,7-6+,8-5-
InChIKeyUOMAGVHZSLPVJJ-RLBCQOATSA-N
Species of MetaboliteComponentSourceComments
Allantophomopsis (ncbitaxon:334516) - PubMed (20224600)
ChEBI Ontology
Outgoing Relation(s)
Allantopyrone A (CHEBI:215261) is a pyranone (CHEBI:37963)
IUPAC Name 
[5-(hydroxymethyl)-6-[(E)-3-hydroxyprop-1-enyl]-4-methoxy-2-oxopyran-3-yl]methyl (2Z,4E)-hexa-2,4-dienoate
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