CHEBI:206213 - Xylogiblactone A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Xylogiblactone A
ChEBI ID CHEBI:206213
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H13ClO4
Net Charge 0
Average Mass 220.650
Monoisotopic Mass 220.05024
InChI InChI=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
InChIKey LXHYBBQOYKTFIL-WCTZXXKLSA-N
SMILES Cl[C@@H]([C@@H](O)[C@H](O)[C@@H]1OC(=O)C(=C1)C)C
Metabolite of Species Details
Xylotumulus gibbisporus (NCBI:txid561973) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78441066 ChemSpider
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