EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204219 - Monascuskaochroman

ChEBI IDCHEBI:204219
ChEBI NameMonascuskaochroman
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO3
Net Charge0
Average Mass235.283
Monoisotopic Mass235.12084
SMILESCC(C)(O)[C@]1(C(N)=O)CCOc2ccccc21
InChIInChI=1S/C13H17NO3/c1-12(2,16)13(11(14)15)7-8-17-10-6-4-3-5-9(10)13/h3-6,16H,7-8H2,1-2H3,(H2,14,15)/t13-/m1/s1
InChIKeySGSMPPSRPJMXSX-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Monascusspecies (in: ascomycete fungi) (ncbitaxon:1963841) - DOI (10.1007/s10600-011-9996-z)
ChEBI Ontology
Outgoing Relation(s)
Monascuskaochroman (CHEBI:204219) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
4-(2-hydroxypropan-2-yl)-2,3-dihydrochromene-4-carboxamide
Manual XrefsDatabases
28289171ChemSpider