EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219180 - Ascomycone C

ChEBI IDCHEBI:219180
ChEBI NameAscomycone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O7
Net Charge0
Average Mass320.297
Monoisotopic Mass320.08960
SMILESCO/C=C1/C(=O)c2c(O)cc(OC)cc2C(=O)[C@]1(O)CC(C)=O
InChIInChI=1S/C16H16O7/c1-8(17)6-16(21)11(7-22-2)14(19)13-10(15(16)20)4-9(23-3)5-12(13)18/h4-5,7,18,21H,6H2,1-3H3/b11-7-/t16-/m0/s1
InChIKeyHPBXQUJGACOIQY-UBAGTECSSA-N
ChEBI Ontology
Outgoing Relation(s)
Ascomycone C (CHEBI:219180) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(3E)-2,5-dihydroxy-7-methoxy-3-(methoxymethylidene)-2-(2-oxopropyl)naphthalene-1,4-dione
Manual XrefsDatabases
24635822ChemSpider