EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226379 - (3R)-3-hydroxy-3-methyl-4-(1,4,5-trihydroxy-9,10-dioxoanthracen-2-yl)butanamide

ChEBI IDCHEBI:226379
ChEBI Name(3R)-3-hydroxy-3-methyl-4-(1,4,5-trihydroxy-9,10-dioxoanthracen-2-yl)butanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17NO7
Net Charge0
Average Mass371.345
Monoisotopic Mass371.10050
SMILESC[C@](O)(CC(N)=O)Cc1cc(O)c2c(c1O)C(=O)c1cccc(O)c1C2=O
InChIInChI=1S/C19H17NO7/c1-19(27,7-12(20)23)6-8-5-11(22)14-15(16(8)24)17(25)9-3-2-4-10(21)13(9)18(14)26/h2-5,21-22,24,27H,6-7H2,1H3,(H2,20,23)/t19-/m1/s1
InChIKeyJSSFFKOUDZCUSU-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies QL37 (ncbitaxon:2093747) - PubMed (30656821)
ChEBI Ontology
Outgoing Relation(s)
(3R)-3-hydroxy-3-methyl-4-(1,4,5-trihydroxy-9,10-dioxoanthracen-2-yl)butanamide (CHEBI:226379) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-3-hydroxy-3-methyl-4-(1,4,5-trihydroxy-9,10-dioxoanthracen-2-yl)butanamide