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CHEBI:211238 - Torularhodin

ChEBI IDCHEBI:211238
ChEBI NameTorularhodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O2
Net Charge0
Average Mass564.854
Monoisotopic Mass564.39673
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(C)(C)CCC1
InChIInChI=1S/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)/b11-10+,19-12+,20-14+,22-13+,25-15+,29-28+,31-17+,32-18+,33-21+,34-23+,35-24+,37-26+
InChIKeyNESPPCWGYRQEJQ-VATUXEBJSA-N
Species of MetaboliteComponentSourceComments
Torula (ncbitaxon:430997) - DOI (10.1002/hlca.19430260704)
ChEBI Ontology
Outgoing Relation(s)
Torularhodin (CHEBI:211238) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid
Manual XrefsDatabases
LMPR01070279LIPID MAPS
4444660ChemSpider
C08607KEGG COMPOUND