EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:176135 - Piperenol C

ChEBI IDCHEBI:176135
ChEBI NamePiperenol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O10
Net Charge0
Average Mass448.424
Monoisotopic Mass448.13695
SMILESCC(=O)OC1C=C(COC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C22H24O10/c1-12(23)29-18-10-17(11-28-22(27)16-8-6-5-7-9-16)19(30-13(2)24)21(32-15(4)26)20(18)31-14(3)25/h5-10,18-21H,11H2,1-4H3
InChIKeyDNKKICSBPVSNIP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Piperenol C (CHEBI:176135) has functional parent hexacarboxylic acid (CHEBI:59359)
Piperenol C (CHEBI:176135) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3,4,5,6-tetraacetyloxycyclohexen-1-yl)methyl benzoate
Manual XrefsDatabases
HMDB0041536HMDB
35015199ChemSpider