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CHEBI:176860 - 18'-hydroxy-chi,chi-caroten-18-oic acid

ChEBI IDCHEBI:176860
ChEBI Name18'-hydroxy-chi,chi-caroten-18-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H46O3
Net Charge0
Average Mass574.805
Monoisotopic Mass574.34470
SMILESCC(/C=C/C=C(C)/C=C/c1ccc(CO)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C(=O)O)c(C)c1C
InChIInChI=1S/C40H46O3/c1-28(15-11-17-30(3)19-21-36-23-24-38(27-41)33(6)32(36)5)13-9-10-14-29(2)16-12-18-31(4)20-22-37-25-26-39(40(42)43)35(8)34(37)7/h9-26,41H,27H2,1-8H3,(H,42,43)/b10-9+,15-11+,16-12+,21-19+,22-20+,28-13+,29-14+,30-17+,31-18+
InChIKeyQELCRTHCYSTRJW-GQHZKSQNSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma congolense (ncbitaxon:5692) Whole Organism (NCIT:C13413) MetaboLights (MTBLS2372)
ChEBI Ontology
Outgoing Relation(s)
18'-hydroxy-chi,chi-caroten-18-oic acid (CHEBI:176860) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(hydroxymethyl)-2,3-dimethylphenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,3-dimethylbenzoic acid