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CHEBI:185886 - Mabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside]

ChEBI IDCHEBI:185886
ChEBI NameMabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H78O19
Net Charge0
Average Mass959.133
Monoisotopic Mass958.51373
SMILES[H][C@]12CCC3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)[C@@H](O)O[C@@]1(C)[C@@H](CC=C(C)C)OC(=O)[C@@]21[H]
InChIInChI=1S/C48H78O19/c1-20(2)10-13-28-48(9)29(39(58)64-28)22-11-12-26-45(6)16-15-27(44(4,5)25(45)14-17-46(26,7)47(22,8)43(59)67-48)65-42-38(66-41-37(57)34(54)31(51)23(18-49)62-41)35(55)32(52)24(63-42)19-60-40-36(56)33(53)30(50)21(3)61-40/h10,21-38,40-43,49-57,59H,11-19H2,1-9H3/t21-,22+,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33+,34-,35-,36+,37+,38+,40+,41-,42-,43-,45-,46+,47-,48-/m0/s1
InChIKeyNJXHMMCRCDCKNH-UZTDFSENSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Mabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside] (CHEBI:185886) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(1R,2R,3S,5R,6R,9S,10R,14R,17S)-17-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-enyl)-4,7-dioxapentacyclo[11.8.0.02,10.05,9.014,19]henicosan-8-one
Manual XrefsDatabases
HMDB0040942HMDB
35015054ChemSpider