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CHEBI:182003 - [(2R,3R,4S,5S)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate

ChEBI IDCHEBI:182003
ChEBI Name[(2R,3R,4S,5S)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O15
Net Charge0
Average Mass678.769
Monoisotopic Mass678.34627
SMILESCC(C)CC(=O)OC[C@H]1O[C@@](COC(=O)CC(C)C)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C
InChIInChI=1S/C32H54O15/c1-16(2)9-22(34)41-14-21-29(44-24(36)11-18(5)6)30(45-25(37)12-19(7)8)32(46-21,15-42-23(35)10-17(3)4)47-31-28(40)27(39)26(38)20(13-33)43-31/h16-21,26-31,33,38-40H,9-15H2,1-8H3/t20-,21-,26-,27+,28-,29-,30+,31-,32+/m1/s1
InChIKeySKOYDNZXMHBVBB-CBMGPWMLSA-N
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4S,5S)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate (CHEBI:182003) has functional parent tetracarboxylic acid (CHEBI:35742)
[(2R,3R,4S,5S)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate (CHEBI:182003) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3R,4S,5S)-3,4-bis(3-methylbutanoyloxy)-5-(3-methylbutanoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 3-methylbutanoate
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