CHEBI:136550 - 2-phenylethyl β-primeveroside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-phenylethyl β-primeveroside
ChEBI ASCII Name 2-phenylethyl beta-primeveroside
Definition A 6-O-(β-D-xylopyranosyl)-β-D-glucopyranoside in which the anomeric substituent is specified as 2-phenylethyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H28O10
Net Charge 0
Average Mass 416.420
Monoisotopic Mass 416.16825
InChI InChI=1S/C19H28O10/c20-11-8-27-18(16(24)13(11)21)28-9-12-14(22)15(23)17(25)19(29-12)26-7-6-10-4-2-1-3-5-10/h1-5,11-25H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OCCC=2C=CC=CC2)CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O
Metabolite of Species Details
Camellia sinensis (NCBI:txid4442) See: MetaboLights Study
Camellia sinensis var. sinensis (NCBI:txid542762) Found in leaf (BTO:0000713). See: PubMed
Alangium platanifolium (NCBI:txid60116) See: PubMed
Jasminum sambac (NCBI:txid660624) See: PubMed
Roles Classification
Biological Role(s): Camellia sinensis metabolite
Any plant metabolite that is produced by Camellia sinensis.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-phenylethyl β-primeveroside (CHEBI:136550) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl β-primeveroside (CHEBI:136550) has role Camellia sinensis metabolite (CHEBI:140160)
2-phenylethyl β-primeveroside (CHEBI:136550) is a 6-O-(β-D-xylopyranosyl)-β-D-glucopyranoside (CHEBI:2220)
2-phenylethyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
2-phenylethyl β-D-xylopyranosyl-(1→6)-β-D-glucopyranoside
Synonyms Sources
2-phenylethyl β-D-xylosyl-(1→6)-β-D-glucoside ChEBI
2-Phenylethyl beta-primeveroside HMDB
β-D-Xyl-(1→6)-β-D-Glc-OCH2CH2Ph ChEBI
Paxgp HMDB
Phenethyl alcohol xylopyranosyl-(1-6)-glucopyranoside HMDB
phenethyl β-D-xylosyl-(1→6)-β-D-glucoside ChEBI
Manual Xref Database
HMDB0041274 HMDB
View more database links
Registry Numbers Types Sources
129932-48-5 CAS Registry Number ChemIDplus
4212291 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12481100 PubMed citation Europe PMC
1370042 PubMed citation Europe PMC
7522061 PubMed citation Europe PMC
7539643 PubMed citation Europe PMC
Last Modified
15 February 2018