CHEBI:67800 - 3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid

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ChEBI Name 3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid
ChEBI ID CHEBI:67800
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.
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Formula C43H69NO13
Net Charge 0
Average Mass 808.00690
Monoisotopic Mass 807.47689
InChI InChI=1S/C43H69NO13/c1-21(45)44-30-33(50)32(49)25(20-55-36-34(51)31(48)24(46)19-54-36)56-35(30)57-29-12-13-40(6)26(39(29,4)5)11-14-41(7)27(40)10-9-22-23-17-38(2,3)15-16-43(23,37(52)53)28(47)18-42(22,41)8/h9,23-36,46-51H,10-20H2,1-8H3,(H,44,45)(H,52,53)/t23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,33+,34+,35-,36-,40-,41+,42+,43+/m0/s1
InChIKey LRMCXUYYLPHGOS-CJXDOCFZSA-N
SMILES [H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)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](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 saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid (CHEBI:67800) has role metabolite (CHEBI:25212)
3-O-[alpha-L-arabinopyranosyl(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl echinocystic acid (CHEBI:67800) is a triterpenoid saponin (CHEBI:61778)
Citation
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:N-acyl-hexosamine(CHEBI:21656); ISA:disaccharide(CHEBI:36233); ISA:glycoside(CHEBI:24400); ISA:amino sugar(CHEBI:28963); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:oxanes(CHEBI:46942); ISA:carboxamide(CHEBI:37622); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); 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);