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CHEBI:4390 - Deltoside

ChEBI IDCHEBI:4390
ChEBI NameDeltoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC51H84O23
Net Charge0
Average Mass1065.210
Monoisotopic Mass1064.54034
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@](O)(CC[C@@H](C)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@]12[H]
InChIInChI=1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36-,37+,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
InChIKeyRPYHJEFMMXMMHG-AATSBFCISA-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)
Deltoside (CHEBI:4390) is a steroid saponin (CHEBI:61655)
Synonym  Source
DeltosideKEGG COMPOUND
Manual XrefsDatabases
C08895KEGG COMPOUND
C00003572KNApSAcK
Registry NumbersSources
CAS:62751-68-2KEGG COMPOUND