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CHEBI:145200 - 11-dehydroxy-mogroside IIE

ChEBI IDCHEBI:145200
ChEBI Name11-dehydroxy-mogroside IIE
Stars
Submittermwilliams
DownloadsMolfile
FormulaC42H72O13
Net Charge0
Average Mass785.025
Monoisotopic Mass784.49729
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3([H])[C@]1(C)CC[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/C42H72O13/c1-21(9-13-29(39(4,5)51)55-37-35(50)33(48)31(46)26(20-44)53-37)22-15-16-42(8)27-12-10-23-24(40(27,6)17-18-41(22,42)7)11-14-28(38(23,2)3)54-36-34(49)32(47)30(45)25(19-43)52-36/h10,21-22,24-37,43-51H,9,11-20H2,1-8H3/t21-,22-,24-,25-,26-,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,40+,41-,42+/m1/s1
InChIKeyMFGRLLKGMUFIPT-XZJZDPMASA-N
Species of MetaboliteComponentSourceComments
Momordica charantia (ncbitaxon:3673) seed (BTO:0001226) MetaboLights (MTBLS701)
Roles Classification
Biological Role:
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)
11-dehydroxy-mogroside IIE (CHEBI:145200) is a 3-hydroxy steroid (CHEBI:36834)
11-dehydroxy-mogroside IIE (CHEBI:145200) is a steroid saponin (CHEBI:61655)
11-dehydroxy-mogroside IIE (CHEBI:145200) is a β-D-glucoside (CHEBI:22798)