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CHEBI:229958 - mogroside IVA

ChEBI IDCHEBI:229958
ChEBI Namemogroside IVA
Stars
SubmitterAnne Morgat
DownloadsMolfile
FormulaC54H92O24
Net Charge0
Average Mass1125.306
Monoisotopic Mass1124.59785
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3([H])[C@]1(C)[C@H](O)C[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O
InChIInChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)78-49-45(69)41(65)37(61)29(76-49)21-72-47-43(67)39(63)35(59)27(19-56)74-47)23-15-16-52(6)30-12-10-24-25(54(30,8)31(57)17-53(23,52)7)11-14-32(50(24,2)3)77-48-44(68)40(64)36(60)28(75-48)20-71-46-42(66)38(62)34(58)26(18-55)73-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,52+,53-,54+/m1/s1
InChIKeyOKGRRPCHOJYNKX-APMSXLJSSA-N
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)
mogroside IVA (CHEBI:229958) has role plant metabolite (CHEBI:76924)
mogroside IVA (CHEBI:229958) is a mogroside (CHEBI:139477)
mogroside IVA (CHEBI:229958) is a β-D-glucoside (CHEBI:22798)
Synonym  Source
mogroside IV-ASUBMITTER
UniProt Name  Source
mogroside IVAUniProt
Citations