CHEBI:229952 - mogroside IIIA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name mogroside IIIA
ChEBI ID CHEBI:229952
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C48H82O19
Net Charge 0
Average Mass 963.165
Monoisotopic Mass 962.54503
InChI InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)67-43-40(60)37(57)34(54)27(65-43)20-62-41-38(58)35(55)32(52)25(18-49)63-41)22-15-16-46(6)28-12-10-23-24(48(28,8)29(51)17-47(22,46)7)11-14-30(44(23,2)3)66-42-39(59)36(56)33(53)26(19-50)64-42/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,46+,47-,48+/m1/s1
InChIKey KYVIPFHNYCKOMQ-YMRJDYICSA-N
SMILES O[C@H]1[C@@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CC[C@@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C(O)(C)C)C)[H])(C1)C)C)(CC=C6[C@]2(CC[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)C6(C)C)[H])[H])C
Roles Classification
Biological Role(s): 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.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mogroside IIIA (CHEBI:229952) has functional parent Mogroside II-E (CHEBI:145198)
mogroside IIIA (CHEBI:229952) has role plant metabolite (CHEBI:76924)
mogroside IIIA (CHEBI:229952) is a β-D-glucoside (CHEBI:22798)
mogroside IIIA (CHEBI:229952) is a mogroside (CHEBI:139477)
Incoming mogroside IVA (CHEBI:229958) has functional parent mogroside IIIA (CHEBI:229952)
Synonyms Sources
mogroside III-A SUBMITTER
mogroside IIIA UniProt
mogroside IIIx SUBMITTER
Citations Waiting for Citations Types Sources
27821754 PubMed citation SUBMITTER
36248741 PubMed citation SUBMITTER