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CHEBI:189939 - Idoxanthin

ChEBI IDCHEBI:189939
ChEBI NameIdoxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O4
Net Charge0
Average Mass598.868
Monoisotopic Mass598.40221
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@@H](O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O
InChIInChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-37,41-43H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35?,36?,37-/m1/s1
InChIKeyDNKQGUYVWUAYIE-JONJQQATSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Idoxanthin (CHEBI:189939) is a xanthophyll (CHEBI:27325)
IUPAC Name 
3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(3R)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6-hydroxy-2,4,4-trimethylcyclohex-2-en-1-one