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CHEBI:190727 - Scillipheosidin 3-[glucosyl-(1->2)-rhamnoside]

ChEBI IDCHEBI:190727
ChEBI NameScillipheosidin 3-[glucosyl-(1->2)-rhamnoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O14
Net Charge0
Average Mass708.798
Monoisotopic Mass708.33571
SMILESCC1OC(OC2C=C3CCC4C(CC(O)C5(C)C(c6ccc(=O)oc6)CCC45O)C3(C)CC2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C36H52O14/c1-16-26(40)29(43)31(50-32-30(44)28(42)27(41)23(14-37)49-32)33(47-16)48-19-8-10-34(2)18(12-19)5-6-21-22(34)13-24(38)35(3)20(9-11-36(21,35)45)17-4-7-25(39)46-15-17/h4,7,12,15-16,19-24,26-33,37-38,40-45H,5-6,8-11,13-14H2,1-3H3
InChIKeyAZXOOWUNELCFPH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Scillipheosidin 3-[glucosyl-(1->2)-rhamnoside] (CHEBI:190727) has functional parent bufanolide (CHEBI:22934)
Scillipheosidin 3-[glucosyl-(1->2)-rhamnoside] (CHEBI:190727) is a steroid lactone (CHEBI:26766)
IUPAC Name 
5-[3-[4,5-dihydroxy-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Manual XrefsDatabases
HMDB0036946HMDB