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CHEBI:169834 - Blumenol C O-[apiosyl-(1->6)-glucoside]

ChEBI IDCHEBI:169834
ChEBI NameBlumenol C O-[apiosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O11
Net Charge0
Average Mass504.573
Monoisotopic Mass504.25706
SMILESCC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C24H40O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h7,13,15-22,25,27-31H,5-6,8-11H2,1-4H3
InChIKeyTUDVISHNHBQYQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Blumenol C O-[apiosyl-(1->6)-glucoside] (CHEBI:169834) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
4-[3-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
HMDB0031936HMDB