EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225712 - 3-amino-4,5,6-trihydroxy-2-methoxy-5-methyl-2-cyclohexen-1-one

ChEBI IDCHEBI:225712
ChEBI Name3-amino-4,5,6-trihydroxy-2-methoxy-5-methyl-2-cyclohexen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13NO5
Net Charge0
Average Mass203.194
Monoisotopic Mass203.07937
SMILESCOC1=C(N)[C@@H](O)[C@@](C)(O)[C@@H](O)C1=O
InChIInChI=1S/C8H13NO5/c1-8(13)6(11)3(9)5(14-2)4(10)7(8)12/h6-7,11-13H,9H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyBYJOXMZXXVYXJJ-GJMOJQLCSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (26204946)
ChEBI Ontology
Outgoing Relation(s)
3-amino-4,5,6-trihydroxy-2-methoxy-5-methyl-2-cyclohexen-1-one (CHEBI:225712) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5R,6R)-3-amino-4,5,6-trihydroxy-2-methoxy-5-methylcyclohex-2-en-1-one
Manual XrefsDatabases
35517141ChemSpider