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CHEBI:173281 - 4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside]

ChEBI IDCHEBI:173281
ChEBI Name4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O11
Net Charge0
Average Mass506.589
Monoisotopic Mass506.27271
SMILESCC1=CCCC(C)(C)C1(O)CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3
InChIKeyQWCOEYNCDIXGMI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside] (CHEBI:173281) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-yloxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0041580HMDB