CHEBI:9859 - umbelliferose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name umbelliferose
ChEBI ID CHEBI:9859
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H32O16
Net Charge 0
Average Mass 504.43708
Monoisotopic Mass 504.16903
InChI InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-14-12(27)9(24)6(2-20)31-17(14)34-18(4-22)15(29)10(25)7(3-21)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9+,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1
InChIKey LNRUEZIDUKQGRH-YZUCMPLFSA-N
SMILES OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing umbelliferose (CHEBI:9859) is a trisaccharide (CHEBI:27150)
IUPAC Name
β-D-fructofuranosyl α-D-galactopyranosyl-(1→2)-α-D-glucopyranoside
Synonyms Sources
α-D-Galp-(1→2)-α-D-Glcp-(1↔2)-β-D-Fruf JCBN
Umbelliferose KEGG COMPOUND
Manual Xrefs Databases
C00001153 KNApSAcK
C08251 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1411190 Beilstein Registry Number Beilstein
546-60-1 CAS Registry Number KEGG COMPOUND
Last Modified
04 August 2014
General Comment
2005-04-06 Named by IUPAC/IUBMB JCBN as a galactopyranoside whereas structure drawings in Beilstein and KEGG COMPOUND show a glucopyranoside structure.