CHEBI:172723 - Piperenol A triacetate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Piperenol A triacetate
ChEBI ID CHEBI:172723
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H26O10
Net Charge 0
Average Mass 510.495
Monoisotopic Mass 510.15260
InChI InChI=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
InChIKey UGMVPWAZGUPKPL-UHFFFAOYSA-N
SMILES O(C1C(OC(=O)C)C(OC(=O)C)C=C(C1OC(=O)C)COC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35015198 ChemSpider
HMDB0041535 HMDB
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