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CHEBI:220971 - Phomaligin A

ChEBI IDCHEBI:220971
ChEBI NamePhomaligin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25NO5
Net Charge0
Average Mass311.378
Monoisotopic Mass311.17327
SMILESCC[C@H](C)C(=O)C1=C(NCCO)[C@](C)(O)C(=O)C(C)=C1OC
InChIInChI=1S/C16H25NO5/c1-6-9(2)12(19)11-13(22-5)10(3)15(20)16(4,21)14(11)17-7-8-18/h9,17-18,21H,6-8H2,1-5H3/t9-,16-/m0/s1
InChIKeyQEUPBBFRRMXJEC-FVMDXXJSSA-N
Species of MetaboliteComponentSourceComments
Plenodomus lingam (ncbitaxon:5022) - DOI (10.1016/0031-9422(94)00759-m)
ChEBI Ontology
Outgoing Relation(s)
Phomaligin A (CHEBI:220971) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
(6S)-6-hydroxy-5-(2-hydroxyethylamino)-3-methoxy-2,6-dimethyl-4-[(2S)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
Manual XrefsDatabases
78439800ChemSpider