EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205796 - Ketodiol7

ChEBI IDCHEBI:205796
ChEBI NameKetodiol7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESCCCCCCC(O)[C@@H]1CCC2=C(O1)[C@@H](O)CCC2=O
InChIInChI=1S/C16H26O4/c1-2-3-4-5-6-13(18)15-10-7-11-12(17)8-9-14(19)16(11)20-15/h13-15,18-19H,2-10H2,1H3/t13?,14-,15-/m0/s1
InChIKeyINHVGPIPHZJQOP-FGRDXJNISA-N
Species of MetaboliteComponentSourceComments
Trichoderma harzianum (ncbitaxon:5544) - DOI (10.1021/np50100a020)
ChEBI Ontology
Outgoing Relation(s)
Ketodiol7 (CHEBI:205796) is a benzopyran (CHEBI:22727)
IUPAC Name 
(2S,8S)-8-hydroxy-2-(1-hydroxyheptyl)-2,3,4,6,7,8-hexahydrochromen-5-one
Manual XrefsDatabases
78440334ChemSpider