CHEBI:230512 - isomogroside IV

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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 isomogroside IV
ChEBI ID CHEBI:230512
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C54H92O23
Net Charge 0
Average Mass 1109.307
Monoisotopic Mass 1108.60294
InChI InChI=1S/C54H92O23/c1-22(10-14-33(51(5,6)69)75-49-45(41(66)37(62)29(21-57)73-49)77-47-43(68)39(64)36(61)28(20-56)72-47)24-16-17-52(7)30-13-11-25-26(54(30,9)31(58)18-53(24,52)8)12-15-32(50(25,3)4)74-48-44(40(65)34(59)23(2)70-48)76-46-42(67)38(63)35(60)27(19-55)71-46/h11,22-24,26-49,55-69H,10,12-21H2,1-9H3/t22-,23-,24-,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
InChIKey UNCDEJNDEDMWPE-BKLKYEHPSA-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[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)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[C@@H]8O[C@@H]([C@@H](O)[C@H](O)[C@H]8O)CO)C)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 isomogroside IV (CHEBI:230512) has role plant metabolite (CHEBI:76924)
isomogroside IV (CHEBI:230512) is a β-D-glucoside (CHEBI:22798)
isomogroside IV (CHEBI:230512) is a mogroside (CHEBI:139477)
Synonyms Sources
iM4 SUBMITTER
isomogroside IV UniProt
Citation Waiting for Citations Type Source
27821754 PubMed citation SUBMITTER