CHEBI:155892 - tremuloidin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tremuloidin
ChEBI ID CHEBI:155892
Definition An aryl β-D-glucoside that is salicin in which the hydrogen of the 2-hydroxy group is replaced by a benzoyl group. It is found in the leaves and bark of willows and poplars.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C20H22O8
Net Charge 0
Average Mass 390.388
Monoisotopic Mass 390.13147
InChI InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)26-20-18(17(24)16(23)15(11-22)27-20)28-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1
InChIKey FWPNCAYVELBDRB-BFMVXSJESA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC=3C(=CC=CC3)CO)CO
Metabolite of Species Details
Homalium cochinchinense (NCBI:txid1009479) Found in bark (BTO:0001301). Isolated from root bark. See: PubMed
Populus tomentosa (NCBI:txid118781) Found in bark (BTO:0001301). Isolated from stem bark. See: PubMed
Salix acutifolia (NCBI:txid1233969) Found in stem (BTO:0001300). See: PubMed
Populus alba (NCBI:txid43335) See: PubMed
Salix tetrasperma (NCBI:txid75722) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing tremuloidin (CHEBI:155892) has functional parent salicin (CHEBI:17814)
tremuloidin (CHEBI:155892) has role plant metabolite (CHEBI:76924)
tremuloidin (CHEBI:155892) is a aromatic primary alcohol (CHEBI:33857)
tremuloidin (CHEBI:155892) is a aryl β-D-glucoside (CHEBI:28749)
tremuloidin (CHEBI:155892) is a benzoate ester (CHEBI:36054)
tremuloidin (CHEBI:155892) is a benzyl alcohols (CHEBI:22743)
tremuloidin (CHEBI:155892) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
2-(hydroxymethyl)phenyl 2-O-benzoyl-β-D-glucopyranoside
Synonyms Sources
2'-benzoylsalicin ChEBI
2'-O-benzoylsalicin ChEBI
Manual Xref Database
C00043991 KNApSAcK
View more database links
Registry Number Type Source
529-66-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
1431941 PubMed citation Europe PMC
15104498 PubMed citation Europe PMC
22860454 PubMed citation Europe PMC
23016273 PubMed citation Europe PMC
24271998 PubMed citation Europe PMC
25561400 PubMed citation Europe PMC
26820172 PubMed citation Europe PMC
31137712 PubMed citation Europe PMC
31736216 PubMed citation Europe PMC
32119637 PubMed citation Europe PMC
IND605188108 Agricola citation Europe PMC
Last Modified
19 June 2020