EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206213 - Xylogiblactone A

ChEBI IDCHEBI:206213
ChEBI NameXylogiblactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13ClO4
Net Charge0
Average Mass220.652
Monoisotopic Mass220.05024
SMILESCC1=C[C@H]([C@@H](O)[C@H](O)[C@@H](C)Cl)OC1=O
InChIInChI=1S/C9H13ClO4/c1-4-3-6(14-9(4)13)8(12)7(11)5(2)10/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyLXHYBBQOYKTFIL-WCTZXXKLSA-N
Species of MetaboliteComponentSourceComments
Xylotumulus gibbisporus (ncbitaxon:561973) - PubMed (24597849)
ChEBI Ontology
Outgoing Relation(s)
Xylogiblactone A (CHEBI:206213) is a butenolide (CHEBI:50523)
IUPAC Name 
(2R)-2-[(1S,2S,3R)-3-chloro-1,2-dihydroxybutyl]-4-methyl-2H-uran-5-one
Manual XrefsDatabases
78441066ChemSpider