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CHEBI:173292 - (R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol

ChEBI IDCHEBI:173292
ChEBI Name(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H40O9
Net Charge0
Average Mass436.542
Monoisotopic Mass436.26723
SMILESCCCCCC(O)CCOC1OC(CO)C(C)C(O)C1OC1OCC(C)(CO)C1O
InChIInChI=1S/C21H40O9/c1-4-5-6-7-14(24)8-9-27-19-17(16(25)13(2)15(10-22)29-19)30-20-18(26)21(3,11-23)12-28-20/h13-20,22-26H,4-12H2,1-3H3
InChIKeyWKMBZTIVAJAWBA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol (CHEBI:173292) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
5-[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy-2-(hydroxymethyl)-6-(3-hydroxyoctoxy)-3-methyloxan-4-ol
Manual XrefsDatabases
35013495ChemSpider
HMDB0032798HMDB