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CHEBI:207352 - Sumalactone A

ChEBI IDCHEBI:207352
ChEBI NameSumalactone A
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SubmitterMetaboLights
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FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESC[C@H](O)C[C@H]1CCCC(=O)c2c(O)cc(O)cc2CC(=O)O1
InChIInChI=1S/C16H20O6/c1-9(17)5-12-3-2-4-13(19)16-10(7-15(21)22-12)6-11(18)8-14(16)20/h6,8-9,12,17-18,20H,2-5,7H2,1H3/t9-,12+/m0/s1
InChIKeyBDIMOFXUGOWADY-JOYOIKCWSA-N
Species of MetaboliteComponentSourceComments
Penicillium sumatraense (ncbitaxon:70558) - DOI (10.1039/c7ra06933b)
ChEBI Ontology
Outgoing Relation(s)
Sumalactone A (CHEBI:207352) is a oxacycle (CHEBI:38104)
IUPAC Name 
(4R)-9,11-dihydroxy-4-[(2S)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione
Manual XrefsDatabases
62344045ChemSpider