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CHEBI:58985 - bihapten 1

ChEBI IDCHEBI:58985
ChEBI Namebihapten 1
Stars
DefinitionA butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dihydroxyphenyl)nonyl substituent at the 5-position.
Last Modified22 December 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C1CC(CCCCCCCCCc2cccc(O)c2O)OC1=O
InChIInChI=1S/C20H28O4/c1-15-14-17(24-20(15)23)12-8-6-4-2-3-5-7-10-16-11-9-13-18(21)19(16)22/h9,11,13,17,21-22H,1-8,10,12,14H2
InChIKeySKCQGHHJJUEPFL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bihapten 1 (CHEBI:58985) is a butan-4-olide (CHEBI:22950)
bihapten 1 (CHEBI:58985) is a catechols (CHEBI:33566)
IUPAC Name 
5-[9-(2,3-dihydroxyphenyl)nonyl]-3-methylideneoxolan-2-one
Synonym  Source
5-[9-(2,3-dihydroxyphenyl)nonyl]-3-methylidenedihydrofuran-2(3H)-oneIUPAC
Registry NumbersSources
Reaxys:5585807Reaxys
Citations