EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218913 - Cytosporone C

ChEBI IDCHEBI:218913
ChEBI NameCytosporone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCCCCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21
InChIInChI=1S/C16H22O4/c1-2-3-4-5-6-7-14-16-11(9-15(19)20-14)8-12(17)10-13(16)18/h8,10,14,17-18H,2-7,9H2,1H3/t14-/m0/s1
InChIKeyUBUGNGHURFYFHC-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (11112639)
ChEBI Ontology
Outgoing Relation(s)
Cytosporone C (CHEBI:218913) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
1-heptyl-6,8-dihydroxy-1,4-dihydroisochromen-3-one
Manual XrefsDatabases
8954288ChemSpider