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

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ChEBI Name Mabiogenin 3-[rhamnosyl-(1->6)-[glucosyl-(1->2)]-glucoside]
ChEBI ID CHEBI:185886
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H78O19
Net Charge 0
Average Mass 959.133
Monoisotopic Mass 958.51373
InChI InChI=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
InChIKey NJXHMMCRCDCKNH-UZTDFSENSA-N
SMILES O1[C@H](O)[C@]2([C@]3(C([C@@]4(C(CC3)C([C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CO[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)CC4)(C)C)C)CC[C@@]2([C@]8([C@@]1([C@H](OC8=O)CC=C(C)C)C)[H])[H])C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): 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 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 Xrefs Databases
35015054 ChemSpider
HMDB0040942 HMDB
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