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CHEBI:176299 - Torvonin A

ChEBI IDCHEBI:176299
ChEBI NameTorvonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64O12
Net Charge0
Average Mass724.929
Monoisotopic Mass724.43978
SMILESCC1CCC2(OC1)OC1CC3C4CC(O)C5CC(OC6OC(C)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
InChIInChI=1S/C39H64O12/c1-17-7-12-39(46-16-17)18(2)28-27(51-39)15-24-22-14-26(40)25-13-21(8-10-37(25,5)23(22)9-11-38(24,28)6)49-36-34(32(44)30(42)20(4)48-36)50-35-33(45)31(43)29(41)19(3)47-35/h17-36,40-45H,7-16H2,1-6H3
InChIKeyDRHJMJVSLJEJHE-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)
Torvonin A (CHEBI:176299) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[4,5-dihydroxy-2-(19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
HMDB0030732HMDB