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CHEBI:175063 - Persicaxanthin

ChEBI IDCHEBI:175063
ChEBI NamePersicaxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O3
Net Charge0
Average Mass384.560
Monoisotopic Mass384.26645
SMILESCC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(/C)CO
InChIInChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1
InChIKeyJQVNCYNADFKYNN-LKODNMENSA-N
ChEBI Ontology
Outgoing Relation(s)
Persicaxanthin (CHEBI:175063) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Manual XrefsDatabases
59700285ChemSpider