EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:145061 - dehydroprobetaenone I

Default Structure
ChEBI IDCHEBI:145061
ChEBI Namedehydroprobetaenone I
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H34O2
Net Charge0
Average Mass318.501
Monoisotopic Mass318.25588
SMILES[H][C@]12[C@H](C)C[C@H](C)C[C@]1([H])C=C(C)[C@H]([C@H](C)CC)[C@]2(C)C(=O)/C=C\O
InChIInChI=1S/C21H34O2/c1-7-14(3)19-16(5)12-17-11-13(2)10-15(4)20(17)21(19,6)18(23)8-9-22/h8-9,12-15,17,19-20,22H,7,10-11H2,1-6H3/b9-8-/t13-,14+,15+,17+,19-,20-,21-/m0/s1
InChIKeyBINVZINZKJFBTL-QQJLSPJJSA-N
ChEBI Ontology
Outgoing Relation(s)
dehydroprobetaenone I (CHEBI:145061) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
dehydroprobetaenone IUniProt
Citations