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CHEBI:191615 - Polypodosaponin

ChEBI IDCHEBI:191615
ChEBI NamePolypodosaponin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H62O13
Net Charge0
Average Mass738.912
Monoisotopic Mass738.41904
SMILES[H][C@@]12CC[C@]([H])([C@H](C)C3CCC(C)C(O)O3)[C@@]1(C)CC[C@@]1([H])C2=CC(=O)[C@@]2([H])C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@]12C
InChIInChI=1S/C39H62O13/c1-17-6-9-27(50-35(17)47)18(2)22-7-8-23-21-15-26(41)25-14-20(10-12-39(25,5)24(21)11-13-38(22,23)4)49-37-34(32(45)30(43)28(16-40)51-37)52-36-33(46)31(44)29(42)19(3)48-36/h15,17-20,22-25,27-37,40,42-47H,6-14,16H2,1-5H3/t17?,18-,19-,20-,22+,23-,24-,25+,27?,28+,29-,30+,31+,32-,33+,34+,35?,36-,37+,38+,39+/m0/s1
InChIKeyMLAYKJNHCRIBKC-KUGLUBNCSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
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)
Polypodosaponin (CHEBI:191615) is a steroid saponin (CHEBI:61655)
IUPAC Name 
(3S,5S,9R,10R,13R,14R,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-17-[(1S)-1-(6-hydroxy-5-methyloxan-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one