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CHEBI:175334 - beta-Carotinal

Default Structure
ChEBI IDCHEBI:175334
ChEBI Namebeta-Carotinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O
Net Charge0
Average Mass416.649
Monoisotopic Mass416.30792
SMILESCC1=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/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17-,27-18+
InChIKeyDFMMVLFMMAQXHZ-IPIGPKAOSA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Carotinal (CHEBI:175334) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14Z,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal
Manual XrefsDatabases
30777173ChemSpider
HMDB0036886HMDB