EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204773 - 3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]-chromene-5,10-dione

ChEBI IDCHEBI:204773
ChEBI Name3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]-chromene-5,10-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30Cl2O5
Net Charge0
Average Mass493.427
Monoisotopic Mass492.14703
SMILESC=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(cc(O)c(C)c1O)C2=O
InChIInChI=1S/C26H30Cl2O5/c1-12-7-8-18(27)24(3,4)16(12)11-26-15(10-19(28)25(5,6)33-26)22(31)20-14(23(26)32)9-17(29)13(2)21(20)30/h9-10,16,18-19,29-30H,1,7-8,11H2,2-6H3/t16-,18+,19-,26-/m1/s1
InChIKeyFSXIFSYEMGCEFU-ZBTFPREESA-N
ChEBI Ontology
Outgoing Relation(s)
3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]-chromene-5,10-dione (CHEBI:204773) is a organic heterotricyclic compound (CHEBI:26979)
3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]-chromene-5,10-dione (CHEBI:204773) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,10aR)-3-chloro-10a-[[(1R,3S)-3-chloro-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-6,8-dihydroxy-2,2,7-trimethyl-3H-benzo[g]chromene-5,10-dione
Manual XrefsDatabases
9458288ChemSpider