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CHEBI:188585 - 1,6-Di-O-acetyl-2,5-bis-O-(2-isocyano-3-methyl-2-butenoyl)-D-mannitol

ChEBI IDCHEBI:188585
ChEBI Name1,6-Di-O-acetyl-2,5-bis-O-(2-isocyano-3-methyl-2-butenoyl)-D-mannitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N2O10
Net Charge0
Average Mass480.470
Monoisotopic Mass480.17440
SMILES[C-]#[N+]C(C(=O)O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)OC(=O)C([N+]#[C-])=C(C)C)=C(C)C
InChIInChI=1S/C22H28N2O10/c1-11(2)17(23-7)21(29)33-15(9-31-13(5)25)19(27)20(28)16(10-32-14(6)26)34-22(30)18(24-8)12(3)4/h15-16,19-20,27-28H,9-10H2,1-6H3/t15-,16-,19-,20-/m1/s1
InChIKeyXQBSOXRYXYNGRH-XNFNUYLZSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
1,6-Di-O-acetyl-2,5-bis-O-(2-isocyano-3-methyl-2-butenoyl)-D-mannitol (CHEBI:188585) has functional parent tetracarboxylic acid (CHEBI:35742)
1,6-Di-O-acetyl-2,5-bis-O-(2-isocyano-3-methyl-2-butenoyl)-D-mannitol (CHEBI:188585) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2R,3S,4S,5R)-1,6-diacetyloxy-3,4-dihydroxy-5-(2-isocyano-3-methylbut-2-enoyl)oxyhexan-2-yl] 2-isocyano-3-methylbut-2-enoate
Manual XrefsDatabases
28285797ChemSpider