EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207913 - Conionaphthalenediol

ChEBI IDCHEBI:207913
ChEBI NameConionaphthalenediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O6
Net Charge0
Average Mass468.590
Monoisotopic Mass468.25119
SMILESCC(/C=C/C=C(\C)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@@H](C)[C@@H](O)c2ccc(C)c(C)c21)=C\C=C\C(=O)O
InChIInChI=1S/C28H36O6/c1-16(10-8-12-24(29)30)9-7-11-18(3)26(31)21(6)28(33)34-23-15-19(4)27(32)22-14-13-17(2)20(5)25(22)23/h7-14,19,21,23,26-27,31-32H,15H2,1-6H3,(H,29,30)/b9-7+,12-8+,16-10+,18-11+/t19-,21+,23+,26+,27-/m1/s1
InChIKeyPYKXHOFMTCEFRT-QZKZSRRZSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyriumspecies (ncbitaxon:1696682) - PubMed (28654255)
ChEBI Ontology
Outgoing Relation(s)
Conionaphthalenediol (CHEBI:207913) is a tetralins (CHEBI:36786)
IUPAC Name 
(2E,4E,6E,8E,10R,11S)-10-hydroxy-12-[[(1S,3R,4R)-4-hydroxy-3,7,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
Manual XrefsDatabases
78440558ChemSpider