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CHEBI:181317 - [3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

ChEBI IDCHEBI:181317
ChEBI Name[3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O14
Net Charge0
Average Mass522.500
Monoisotopic Mass522.19486
SMILESC=C(CCO)C(=O)OCC1OCC(OC(=O)C(=C)CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)C1O
InChIInChI=1S/C22H34O14/c1-10(3-5-23)20(30)34-8-13-16(26)17(27)14(9-33-13)35-21(31)11(2)4-6-32-22-19(29)18(28)15(25)12(7-24)36-22/h12-19,22-29H,1-9H2/t12-,13?,14?,15-,16?,17?,18+,19-,22-/m1/s1
InChIKeyMBPFTSPFFNRGLA-BJXFZFHDSA-N
ChEBI Ontology
Outgoing Relation(s)
[3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate (CHEBI:181317) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
[3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate
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