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CHEBI:204823 - Talapolyester A

ChEBI IDCHEBI:204823
ChEBI NameTalapolyester A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O12
Net Charge0
Average Mass486.470
Monoisotopic Mass486.17373
SMILESC[C@H](O)CC(=O)O[C@H](C)CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](CO)CC(=O)O
InChIInChI=1S/C22H30O12/c1-11(24)4-19(29)33-13(3)6-20(30)32-12(2)5-14-7-15(25)8-17(26)21(14)22(31)34-16(10-23)9-18(27)28/h7-8,11-13,16,23-26H,4-6,9-10H2,1-3H3,(H,27,28)/t11-,12+,13+,16+/m0/s1
InChIKeyNNDWZOKTFOCYKI-VPWBDBDCSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tet.2014.02.060)
ChEBI Ontology
Outgoing Relation(s)
Talapolyester A (CHEBI:204823) has functional parent tetracarboxylic acid (CHEBI:35742)
Talapolyester A (CHEBI:204823) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-3-[2,4-dihydroxy-6-[(2R)-2-[(3R)-3-[(3S)-3-hydroxybutanoyl]oxybutanoyl]oxypropyl]benzoyl]oxy-4-hydroxybutanoic acid