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CHEBI:181765 - Solasodine base + 2H, 1O, O-Hex-Hex-Hex-Pen

ChEBI IDCHEBI:181765
ChEBI NameSolasodine base + 2H, 1O, O-Hex-Hex-Hex-Pen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H83NO22
Net Charge0
Average Mass1050.199
Monoisotopic Mass1049.54067
SMILESCC1CNC2C(C)C3C(CC4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)CCC6(C)C5CCC43C)OC2(O)C1
InChIInChI=1S/C50H83NO22/c1-19-13-50(64)43(51-14-19)20(2)31-27(73-50)12-25-23-6-5-21-11-22(7-9-48(21,3)24(23)8-10-49(25,31)4)66-45-39(63)36(60)40(30(17-54)69-45)70-47-42(72-46-38(62)35(59)33(57)28(15-52)67-46)41(34(58)29(16-53)68-47)71-44-37(61)32(56)26(55)18-65-44/h19-47,51-64H,5-18H2,1-4H3
InChIKeyRLEPKHOQRVRAFV-UHFFFAOYSA-N
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)
Solasodine base + 2H, 1O, O-Hex-Hex-Hex-Pen (CHEBI:181765) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[(22-hydroxy-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-7-yl)oxy]oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol