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CHEBI:172723 - Piperenol A triacetate

ChEBI IDCHEBI:172723
ChEBI NamePiperenol A triacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O10
Net Charge0
Average Mass510.495
Monoisotopic Mass510.15260
SMILESCC(=O)OC1C=C(COC(=O)c2ccccc2)C(OC(C)=O)C(OC(=O)c2ccccc2)C1OC(C)=O
InChIInChI=1S/C27H26O10/c1-16(28)34-22-14-21(15-33-26(31)19-10-6-4-7-11-19)23(35-17(2)29)25(24(22)36-18(3)30)37-27(32)20-12-8-5-9-13-20/h4-14,22-25H,15H2,1-3H3
InChIKeyUGMVPWAZGUPKPL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Piperenol A triacetate (CHEBI:172723) has functional parent hexacarboxylic acid (CHEBI:59359)
Piperenol A triacetate (CHEBI:172723) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3,4,6-triacetyloxy-5-benzoyloxycyclohexen-1-yl)methyl benzoate
Manual XrefsDatabases
HMDB0041535HMDB
35015198ChemSpider