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CHEBI:168145 - Citronellyl beta-sophoroside

ChEBI IDCHEBI:168145
ChEBI NameCitronellyl beta-sophoroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H40O11
Net Charge0
Average Mass480.551
Monoisotopic Mass480.25706
SMILESCC(C)=CCCC(C)CCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C22H40O11/c1-11(2)5-4-6-12(3)7-8-30-22-20(18(28)16(26)14(10-24)32-22)33-21-19(29)17(27)15(25)13(9-23)31-21/h5,12-29H,4,6-10H2,1-3H3
InChIKeyUPVBTYUCCOHEPJ-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)
Citronellyl beta-sophoroside (CHEBI:168145) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
2-[2-(3,7-dimethyloct-6-enoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0032839HMDB