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CHEBI:218713 - Phomoeuphorbin A

ChEBI IDCHEBI:218713
ChEBI NamePhomoeuphorbin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O6
Net Charge0
Average Mass292.287
Monoisotopic Mass292.09469
SMILESC[C@]1(O)C(=O)C2=CO[C@@H](/C=C/C=C/C(=O)O)CC2=C[C@H]1O
InChIInChI=1S/C15H16O6/c1-15(20)12(16)7-9-6-10(4-2-3-5-13(17)18)21-8-11(9)14(15)19/h2-5,7-8,10,12,16,20H,6H2,1H3,(H,17,18)/b4-2+,5-3+/t10-,12+,15+/m0/s1
InChIKeyYATGZZBUFTZBHV-DYYNFPDUSA-N
Species of MetaboliteComponentSourceComments
Phomopsis euphorbiae (ncbitaxon:511427) - PubMed (18799173)
ChEBI Ontology
Outgoing Relation(s)
Phomoeuphorbin A (CHEBI:218713) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2E,4E)-5-[(3R,6R,7R)-6,7-dihydroxy-7-methyl-8-oxo-4,6-dihydro-3H-isochromen-3-yl]penta-2,4-dienoic acid
Manual XrefsDatabases
28285673ChemSpider