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CHEBI:229961 - mogroside III-C3(1→6)

ChEBI IDCHEBI:229961
ChEBI Namemogroside III-C3(1→6)
Stars
ASCII Namemogroside III-C3(1->6)
SubmitterAnne Morgat
DownloadsMolfile
FormulaC48H82O19
Net Charge0
Average Mass963.165
Monoisotopic Mass962.54503
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](O)[C@H](O)[C@H]1O)C(C)(C)O
InChIInChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)67-42-39(59)36(56)33(53)26(19-50)64-42)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)66-43-40(60)37(57)34(54)27(65-43)20-62-41-38(58)35(55)32(52)25(18-49)63-41/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
InChIKeyPASFPXYDHLIVRF-YMRJDYICSA-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 III-C3(1→6) (CHEBI:229961) has functional parent Mogroside II-E (CHEBI:145198)
mogroside III-C3(1→6) (CHEBI:229961) has role plant metabolite (CHEBI:76924)
mogroside III-C3(1→6) (CHEBI:229961) is a mogroside (CHEBI:139477)
mogroside III-C3(1→6) (CHEBI:229961) is a β-D-glucoside (CHEBI:22798)
UniProt Name  Source
mogroside III-C3(1→6)UniProt
Citations