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CHEBI:199671 - Disciformycin A

ChEBI IDCHEBI:199671
ChEBI NameDisciformycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O10
Net Charge0
Average Mass524.607
Monoisotopic Mass524.26215
SMILESC/C=C(/C)[C@H]1C/C=C(\C)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](OC(=O)CC(C)C)C(=O)C/C=C(/C)C(=O)O1
InChIInChI=1S/C27H40O10/c1-7-15(4)19-11-9-16(5)24(37-27-23(32)22(31)20(13-28)35-27)25(36-21(30)12-14(2)3)18(29)10-8-17(6)26(33)34-19/h7-9,14,19-20,22-25,27-28,31-32H,10-13H2,1-6H3/b15-7-,16-9+,17-8-/t19-,20-,22-,23+,24-,25-,27-/m1/s1
InChIKeyXNEJFSCXUANVQT-VACHOHDASA-N
Species of MetaboliteComponentSourceComments
Pyxidicoccus fallax (ncbitaxon:394095) - PubMed (25294799)
ChEBI Ontology
Outgoing Relation(s)
Disciformycin A (CHEBI:199671) is a macrolide (CHEBI:25106)
IUPAC Name 
[(3Z,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-3,9-dien-7-yl] 3-methylbutanoate
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