CHEBI:67804 - 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid
ChEBI ID CHEBI:67804
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 C52H84O22
Net Charge 0
Average Mass 1061.21020
Monoisotopic Mass 1060.54542
InChI InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1
InChIKey AZFFBGWLLZUTDW-RABNPTKTSA-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)CC[C@@]5([C@H](O)C[C@@]43C)C(O)=O)C2(C)C)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid )
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid (CHEBI:67804) has role metabolite (CHEBI:25212)
3-O-[alpha-L-arabinopyranosyl(1->2)-alpha-L-arabinopyranosyl(1->6)-[beta-D-glucopyranosyl(1->2)]-beta-D-glucopyranoside echinocystic acid (CHEBI:67804) is a triterpenoid saponin (CHEBI:61778)
Synonym Source
Pitheduloside K ChEBI
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:oligosaccharide(CHEBI:50699); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:fatty acid derivative(CHEBI:61697); ISA:glycoside(CHEBI:24400); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);