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CHEBI:67910 - 3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone

ChEBI IDCHEBI:67910
ChEBI Name3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone
Stars
ASCII Name3beta-[(alpha-L-arabinopyranosyl)oxy]-20beta-hydroxyursan-28-oic acid delta-lactone
DefinitionA triterpenoid saponin based on a ursane-skeleton isolated from the leaves of Rosa laevigata.
Last Modified12 July 2016
DownloadsMolfile
FormulaC35H54O7
Net Charge0
Average Mass586.810
Monoisotopic Mass586.38695
SMILES[H][C@@]1(O[C@H]2CC[C@]3(C)[C@@]4([H])CC=C5[C@@](C)(CC[C@]67CC[C@](C)(OC6=O)[C@H](C)[C@@]57[H])[C@]4(C)CC[C@@]3([H])C2(C)C)OC[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C35H54O7/c1-19-25-20-8-9-23-31(4)12-11-24(41-28-27(38)26(37)21(36)18-40-28)30(2,3)22(31)10-13-33(23,6)32(20,5)14-16-35(25)17-15-34(19,7)42-29(35)39/h8,19,21-28,36-38H,9-18H2,1-7H3/t19-,21+,22+,23-,24+,25+,26+,27-,28+,31+,32-,33-,34+,35-/m1/s1
InChIKeyJSXCGBWUPLORSN-QJURAASRSA-N
Species of MetaboliteComponentSourceComments
Rosa laevigata (ncbitaxon:74652) leaf (BTO:0000713) PubMed (21384845) 70% EtOH extract of dried leaves
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) has role plant metabolite (CHEBI:76924)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) is a hexacyclic triterpenoid (CHEBI:70994)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) is a monosaccharide derivative (CHEBI:63367)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) is a terpene lactone (CHEBI:37668)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) is a triterpenoid saponin (CHEBI:61778)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) is a α-L-arabinopyranoside (CHEBI:37782)
3β-[(α-L-arabinopyranosyl)oxy]-20β-hydroxyursan-28-oic acid δ-lactone (CHEBI:67910) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3β)-28-oxo-20,28-epoxyurs-12-en-3-yl α-L-arabinopyranoside
Citations