EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201980 - Arthropsadiol A

ChEBI IDCHEBI:201980
ChEBI NameArthropsadiol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESC/C=C/[C@@H]1C=CC(=O)[C@H](O)[C@H]1C(O)C(C)=O
InChIInChI=1S/C12H16O4/c1-3-4-8-5-6-9(14)12(16)10(8)11(15)7(2)13/h3-6,8,10-12,15-16H,1-2H3/b4-3+/t8-,10-,11?,12+/m1/s1
InChIKeySSXSKRMBIBHWCM-IEUJGMFCSA-N
Species of MetaboliteComponentSourceComments
Arthropsis truncata (ncbitaxon:1341168) - DOI (10.1139/v92-172)
ChEBI Ontology
Outgoing Relation(s)
Arthropsadiol A (CHEBI:201980) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5R,6R)-6-hydroxy-5-(1-hydroxy-2-oxopropyl)-4-[(E)-prop-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
78436796ChemSpider