EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198832 - Penicisochroman F

ChEBI IDCHEBI:198832
ChEBI NamePenicisochroman F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCOC1(C)Cc2ccc3c(c2CO1)O[C@@H](C(C)C)C3=O
InChIInChI=1S/C16H20O4/c1-9(2)14-13(17)11-6-5-10-7-16(3,18-4)19-8-12(10)15(11)20-14/h5-6,9,14H,7-8H2,1-4H3/t14-,16?/m0/s1
InChIKeyUBHRGEKXMCFPAP-LBAUFKAWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2014.06.018)
ChEBI Ontology
Outgoing Relation(s)
Penicisochroman F (CHEBI:198832) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(2S)-7-methoxy-7-methyl-2-propan-2-yl-6,9-dihydrouro[3,2-h]isochromen-3-one
Manual XrefsDatabases
78436410ChemSpider