CHEBI:67801 - 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone
ChEBI ID CHEBI:67801
Definition A natural product found in Albizia inundata.
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C48H75NO17
Net Charge 0
Average Mass 938.10560
Monoisotopic Mass 937.50350
InChI InChI=1S/C48H75NO17/c1-21(50)49-32-36(57)35(56)26(20-62-41-38(34(55)25(52)19-61-41)66-40-37(58)33(54)24(51)18-60-40)63-39(32)64-30-12-13-45(6)27(44(30,4)5)11-14-46(7)28(45)10-9-22-23-15-43(2,3)31-17-48(23,42(59)65-31)29(53)16-47(22,46)8/h9,23-41,51-58H,10-20H2,1-8H3,(H,49,50)/t23-,24+,25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1
InChIKey HCPJVMUCDGEUPL-PYRSKJNPSA-N
SMILES [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@]1([H])OC[C@H]1O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)[C@]6([H])C[C@@]5([C@H](O)C[C@@]43C)C(=O)O6)C2(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O
Metabolite of Species Details
Albizia inundata (IPNI:989452-1) Found in aerial part (BTO:0001658). CH2Cl2-MeOH (1:1) extract of dried,ground biomass See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone )
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone (CHEBI:67801) has role metabolite (CHEBI:25212)
3-O-[beta-D-xylopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl acacic acid lactone (CHEBI:67801) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Prosapogenin 4 ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:amino oligosaccharide(CHEBI:22483); ISA:oligosaccharide(CHEBI:50699); ISA:terpene lactone(CHEBI:37668); ISA:N-acyl-hexosamine(CHEBI:21656); ISA:glycoside(CHEBI:24400); ISA:amino sugar(CHEBI:28963); ISA:oxacycle(CHEBI:38104); ISA:gamma-lactone(CHEBI:37581); ISA:oxanes(CHEBI:46942); ISA:oxolanes(CHEBI:26912); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxamide(CHEBI:37622); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carboxylic acid(CHEBI:33575); ISA:amine(CHEBI:32952); ISA:carbonyl compound(CHEBI:36586);