EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212036 - 5-chloroacremine A

ChEBI IDCHEBI:212036
ChEBI Name5-chloroacremine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17ClO4
Net Charge0
Average Mass260.717
Monoisotopic Mass260.08154
SMILESCC(C)(O)/C=C/C1=CC(=O)[C@](C)(O)[C@@H](Cl)[C@@H]1O
InChIInChI=1S/C12H17ClO4/c1-11(2,16)5-4-7-6-8(14)12(3,17)10(13)9(7)15/h4-6,9-10,15-17H,1-3H3/b5-4+/t9-,10+,12+/m1/s1
InChIKeyBEHCJZAKUQKRSB-QTIKQWDBSA-N
Species of MetaboliteComponentSourceComments
Verruciconidia persicina (ncbitaxon:5051) - PubMed (23883432)
ChEBI Ontology
Outgoing Relation(s)
5-chloroacremine A (CHEBI:212036) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5S,6S)-5-chloro-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one
Manual XrefsDatabases
30771257ChemSpider