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CHEBI:81180 - Condurango glycoside A

ChEBI IDCHEBI:81180
ChEBI NameCondurango glycoside A
Stars
DownloadsMolfile
FormulaC53H78O17
Net Charge0
Average Mass987.190
Monoisotopic Mass986.52390
SMILESCO[C@H]1[C@@H](O)[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)C(CCC6C5[C@H](OC(C)=O)[C@@H](OC(=O)/C=C/c5ccccc5)[C@]5(C)[C@@H](C(C)=O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O
InChIInChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3/b19-16+/t28-,29-,30-,33?,34+,35-,36?,37+,38+,40+,41+,42?,43-,44-,45-,46-,47+,48-,49-,50+,51+,52+,53+/m1/s1
InChIKeyZKWQLHAAXWFVPF-GAAJSAFMSA-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)
Condurango glycoside A (CHEBI:81180) is a steroid saponin (CHEBI:61655)
Manual XrefsDatabases
C17553KEGG COMPOUND
Registry NumbersSources
CAS:11051-90-4KEGG COMPOUND