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CHEBI:177826 - chi,chi-Caroten-18-ol

ChEBI IDCHEBI:177826
ChEBI Namechi,chi-Caroten-18-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H48O
Net Charge0
Average Mass544.823
Monoisotopic Mass544.37052
SMILESCC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(CO)c(C)c1C
InChIInChI=1S/C40H48O/c1-29(16-12-18-31(3)20-23-38-25-22-33(5)34(6)35(38)7)14-10-11-15-30(2)17-13-19-32(4)21-24-39-26-27-40(28-41)37(9)36(39)8/h10-27,41H,28H2,1-9H3/b11-10+,16-12+,17-13+,23-20+,24-21+,29-14+,30-15+,31-18+,32-19+
InChIKeySJKJBVOTEODSQI-PRJKQOPHSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
chi,chi-Caroten-18-ol (CHEBI:177826) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[2,3-dimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,3,4-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]phenyl]methanol
Manual XrefsDatabases
58830051ChemSpider