EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210589 - Neuchromenin

ChEBI IDCHEBI:210589
ChEBI NameNeuchromenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESC[C@H]1CC(=O)C2=C(O1)c1cc(O)c(O)cc1OC2
InChIInChI=1S/C13H12O5/c1-6-2-9(14)8-5-17-12-4-11(16)10(15)3-7(12)13(8)18-6/h3-4,6,15-16H,2,5H2,1H3/t6-/m0/s1
InChIKeySGTSJAOFFFAYJH-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Penicillium javanicum (ncbitaxon:28578) - DOI (10.1016/0040-4039(96)01372-x)
ChEBI Ontology
Outgoing Relation(s)
Neuchromenin (CHEBI:210589) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2S)-8,9-dihydroxy-2-methyl-3,5-dihydro-2H-pyrano[3,2-c]chromen-4-one
Manual XrefsDatabases
8904530ChemSpider