CHEBI:175063 - Persicaxanthin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Persicaxanthin
ChEBI ID CHEBI:175063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O3
Net Charge 0
Average Mass 384.560
Monoisotopic Mass 384.26645
InChI InChI=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
InChIKey JQVNCYNADFKYNN-LKODNMENSA-N
SMILES O1[C@@]2([C@]1(C[C@@H](O)CC2(C)C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/CO)\C
ChEBI Ontology
Outgoing 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 Xref Database
59700285 ChemSpider
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