CHEBI:189740 - tyrosol glucuronide

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 tyrosol glucuronide
ChEBI ID CHEBI:189740
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O8
Net Charge 0
Average Mass 314.290
Monoisotopic Mass 314.10017
InChI InChI=1S/C14H18O8/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14-18H,5-6H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
InChIKey HEIHXCBRTPYOMU-BYNIDDHOSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C=C2)CCO)C(O)=O
ChEBI Ontology
Outgoing tyrosol glucuronide (CHEBI:189740) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(2-hydroxyethyl)phenoxy]oxane-2-carboxylic acid
Manual Xref Database
76778017 ChemSpider
View more database links