EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204908 - Cytosporone D

ChEBI IDCHEBI:204908
ChEBI NameCytosporone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESCCCCCCC[C@@H]1OC(=O)Cc2cc(O)c(O)c(O)c21
InChIInChI=1S/C16H22O5/c1-2-3-4-5-6-7-12-14-10(9-13(18)21-12)8-11(17)15(19)16(14)20/h8,12,17,19-20H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyDCRCESNMLPVESY-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Cytosporaspecies (ncbitaxon:1715226) - PubMed (11112639)
ChEBI Ontology
Outgoing Relation(s)
Cytosporone D (CHEBI:204908) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
1-heptyl-6,7,8-trihydroxy-1,4-dihydroisochromen-3-one
Manual XrefsDatabases
8836807ChemSpider