CHEBI:175899 - Piperenol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:175899
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O7
Net Charge 0
Average Mass 384.384
Monoisotopic Mass 384.12090
InChI InChI=1S/C21H20O7/c22-17-16(28-20(25)15-9-5-2-6-10-15)11-12-21(26,18(17)23)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2
InChIKey PCFGXGDGOLIQTE-UHFFFAOYSA-N
SMILES OC1(C(O)C(O)C(OC(=O)C2=CC=CC=C2)C=C1)COC(=O)C3=CC=CC=C3
ChEBI Ontology
Outgoing Piperenol B (CHEBI:175899) is a benzoate ester (CHEBI:36054)
IUPAC Name
(4-benzoyloxy-1,5,6-trihydroxycyclohex-2-en-1-yl)methyl benzoate
Manual Xrefs Databases
35014835 ChemSpider
HMDB0039617 HMDB
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