CHEBI:214681 - 9-Chloro-8-hydroxy-8,9-deoxyasperlactone

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 9-Chloro-8-hydroxy-8,9-deoxyasperlactone
ChEBI ID CHEBI:214681
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(10)8(12)6-3-7(5(2)11)14-9(6)13/h3-5,7-8,11-12H,1-2H3/t4?,5-,7+,8?/m0/s1
InChIKey IOSRNWZRMSMRNA-XVMLKPHDSA-N
SMILES ClC(C(O)C=1C(=O)O[C@H](C1)[C@@H](O)C)C
Metabolite of Species Details
Aspergillus ostianus (NCBI:txid138279) See: PubMed
ChEBI Ontology
Outgoing 9-Chloro-8-hydroxy-8,9-deoxyasperlactone (CHEBI:214681) is a butenolide (CHEBI:50523)
IUPAC Name
(2R)-4-(2-chloro-1-hydroxypropyl)-2-[(1S)-1-hydroxyethyl]-2H-uran-5-one
Manual Xref Database
9053968 ChemSpider
View more database links