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CHEBI:207117 - Talapolyester B

Default Structure
ChEBI IDCHEBI:207117
ChEBI NameTalapolyester B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O12
Net Charge0
Average Mass486.470
Monoisotopic Mass486.17373
SMILESC[C@H](CC(=O)O[C@H](C)Cc1cc(O)cc(O)c1C(=O)O[C@@H](C)CC(=O)O)OC(=O)C[C@@H](O)CO
InChIInChI=1S/C22H30O12/c1-11(32-19(29)6-13(3)33-20(30)9-16(25)10-23)4-14-7-15(24)8-17(26)21(14)22(31)34-12(2)5-18(27)28/h7-8,11-13,16,23-26H,4-6,9-10H2,1-3H3,(H,27,28)/t11-,12+,13-,16-/m1/s1
InChIKeySWKSTCJDEZFJJE-OQMKEHIESA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tet.2014.02.060)
ChEBI Ontology
Outgoing Relation(s)
Talapolyester B (CHEBI:207117) has functional parent tetracarboxylic acid (CHEBI:35742)
Talapolyester B (CHEBI:207117) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S)-3-[2-[(2R)-2-[(3R)-3-[(3R)-3,4-dihydroxybutanoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoic acid