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CHEBI:181749 - Alloxanthin/Tetradehydrozeaxanthin/(Cynthiaxanthin)/(Pectenoxanthin)

ChEBI IDCHEBI:181749
ChEBI NameAlloxanthin/Tetradehydrozeaxanthin/(Cynthiaxanthin)/(Pectenoxanthin)
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#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
InChIKeyDVICWXUADSCSLL-DDEWRDOISA-N
ChEBI Ontology
Outgoing Relation(s)
Alloxanthin/Tetradehydrozeaxanthin/(Cynthiaxanthin)/(Pectenoxanthin) (CHEBI:181749) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Manual XrefsDatabases
4947707ChemSpider
LMPR01070053LIPID MAPS
Registry NumbersSources
CAS:28380-31-6ChemIDplus