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CHEBI:178123 - 2'-Apo-beta-carotenal

ChEBI IDCHEBI:178123
ChEBI Name2'-Apo-beta-carotenal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48O
Net Charge0
Average Mass508.790
Monoisotopic Mass508.37052
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=O)C(C)(C)CCC1
InChIInChI=1S/C37H48O/c1-30(18-11-20-32(3)21-12-22-33(4)24-15-29-38)16-9-10-17-31(2)19-13-23-34(5)26-27-36-35(6)25-14-28-37(36,7)8/h9-13,15-24,26-27,29H,14,25,28H2,1-8H3/b10-9-,18-11+,19-13+,21-12-,24-15-,27-26+,30-16+,31-17+,32-20+,33-22-,34-23-
InChIKeyBHSZYKGHISLXHM-GOALLJMFSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
2'-Apo-beta-carotenal (CHEBI:178123) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
(2Z,4Z,6Z,8E,10E,12E,14Z,16E,18E,20Z,22E)-4,8,12,17,21-pentamethyl-23-(2,6,6-trimethylcyclohexen-1-yl)tricosa-2,4,6,8,10,12,14,16,18,20,22-undecaenal
Manual XrefsDatabases
HMDB0035150HMDB
30777076ChemSpider