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CHEBI:230512 - isomogroside IV

ChEBI IDCHEBI:230512
ChEBI Nameisomogroside IV
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](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[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@@H]1O[C@H](CO)[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)76-49-45(39(65)36(62)28(20-57)73-49)78-48-42(68)38(64)35(61)27(19-56)72-48)23-15-16-52(6)30-12-10-24-25(54(30,8)31(59)17-53(23,52)7)11-14-32(50(24,2)3)75-46-43(69)40(66)44(29(21-58)74-46)77-47-41(67)37(63)34(60)26(18-55)71-47/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
InChIKeyUOQVEOGXAPHEIO-AEKMPLQXSA-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)
isomogroside IV (CHEBI:230512) has role plant metabolite (CHEBI:76924)
isomogroside IV (CHEBI:230512) is a mogroside (CHEBI:139477)
isomogroside IV (CHEBI:230512) is a β-D-glucoside (CHEBI:22798)
Synonym  Source
iM4SUBMITTER
UniProt Name  Source
isomogroside IVUniProt
Citations