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CHEBI:207370 - Sumalactone D

ChEBI IDCHEBI:207370
ChEBI NameSumalactone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESC[C@H](O)[C@@H]1CCCCC(=O)c2c(O)cc(O)cc2CC(=O)O1
InChIInChI=1S/C16H20O6/c1-9(17)14-5-3-2-4-12(19)16-10(7-15(21)22-14)6-11(18)8-13(16)20/h6,8-9,14,17-18,20H,2-5,7H2,1H3/t9-,14-/m0/s1
InChIKeyAUXDEJONYQAXNK-XPTSAGLGSA-N
Species of MetaboliteComponentSourceComments
Penicillium sumatraense (ncbitaxon:70558) - DOI (10.1039/c7ra06933b)
ChEBI Ontology
Outgoing Relation(s)
Sumalactone D (CHEBI:207370) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(5S)-12,14-dihydroxy-5-[(1S)-1-hydroxyethyl]-4-oxabicyclo[9.4.0]pentadeca-1(11),12,14-triene-3,10-dione
Manual XrefsDatabases
62344048ChemSpider