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CHEBI:171885 - Apo-12'-violaxanthal

ChEBI IDCHEBI:171885
ChEBI NameApo-12'-violaxanthal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESC/C(C=O)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\C12OC1(C)CC(O)CC2(C)C
InChIInChI=1S/C25H34O3/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/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-
InChIKeyCAXVJDRXJFKYQP-RXCALXPUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Apo-12'-violaxanthal (CHEBI:171885) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2Z,4E,6E,8E,10Z,12E)-13-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
Manual XrefsDatabases
HMDB0034953HMDB
35013802ChemSpider