CHEBI:175810 - Pimentol

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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 Pimentol
ChEBI ID CHEBI:175810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H26O12
Net Charge 0
Average Mass 494.449
Monoisotopic Mass 494.14243
InChI InChI=1S/C23H26O12/c1-3-4-10-5-14(32-2)18(27)15(6-10)34-23-21(30)20(29)19(28)16(35-23)9-33-22(31)11-7-12(24)17(26)13(25)8-11/h3,5-8,16,19-21,23-30H,1,4,9H2,2H3/t16-,19-,20+,21-,23-/m1/s1
InChIKey LFQREKVEOMIWQF-JTLUYSSBSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(=CC(OC)=C2O)CC=C)COC(=O)C3=CC(O)=C(O)C(O)=C3
ChEBI Ontology
Outgoing Pimentol (CHEBI:175810) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual Xref Database
8093159 ChemSpider
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Registry Number Type Source
141913-95-3 CAS Registry Number ChemIDplus