CHEBI:200375 - Aspilactonol C

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 Aspilactonol C
ChEBI ID CHEBI:200375
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H14O5
Net Charge 0
Average Mass 202.206
Monoisotopic Mass 202.08412
InChI InChI=1S/C9H14O5/c1-4(10)7-3-6(9(13)14-7)8(12)5(2)11/h3-5,7-8,10-12H,1-2H3/t4-,5-,7+,8-/m0/s1
InChIKey ARUCEWIJCNEASJ-MGVQOFIGSA-N
SMILES O=C1O[C@@H]([C@@H](O)C)C=C1[C@@H](O)[C@@H](O)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Aspilactonol C (CHEBI:200375) is a butenolide (CHEBI:50523)
IUPAC Name
(2R)-4-[(1R,2S)-1,2-dihydroxypropyl]-2-[(1S)-1-hydroxyethyl]-2H-uran-5-one
Manual Xref Database
32675100 ChemSpider
View more database links