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CHEBI:225538 - Aposphaerin C

ChEBI IDCHEBI:225538
ChEBI NameAposphaerin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCCC/C=C/[C@@H]1CC(=O)c2c(CC(=O)O)cc(O)cc2O1
InChIInChI=1S/C16H18O5/c1-2-3-4-5-12-9-13(18)16-10(7-15(19)20)6-11(17)8-14(16)21-12/h4-6,8,12,17H,2-3,7,9H2,1H3,(H,19,20)/b5-4+/t12-/m1/s1
InChIKeyARPNPDSBSVFTDI-ZYOFXKKJSA-N
Species of MetaboliteComponentSourceComments
Neophaeosphaeria quadriseptata (ncbitaxon:125377) - DOI (10.1016/j.tet.2006.06.089)
ChEBI Ontology
Outgoing Relation(s)
Aposphaerin C (CHEBI:225538) is a chromones (CHEBI:23238)
IUPAC Name 
2-[7-hydroxy-4-oxo-2-[(E)-pent-1-enyl]-2,3-dihydrochromen-5-yl]acetic acid
Manual XrefsDatabases
78435984ChemSpider