EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176245 - 3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol

ChEBI IDCHEBI:176245
ChEBI Name3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H58O5
Net Charge0
Average Mass618.899
Monoisotopic Mass618.42842
SMILESCC(/C=C/C=C(C)/C=C/C1(O)C(C)(C)CC(O)CC1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C12OC(CC1(C)C)CC2(C)O
InChIInChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)26-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)27-34(45-40)28-38(40,10)43/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKeyVIOJJXRZEGPFSJ-DKLMTRRASA-N
ChEBI Ontology
Outgoing Relation(s)
3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol (CHEBI:176245) is a xanthophyll (CHEBI:27325)
IUPAC Name 
1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol
Manual XrefsDatabases
HMDB0029654HMDB
35013075ChemSpider