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CHEBI:205849 - Tirandamycin A

ChEBI IDCHEBI:205849
ChEBI NameTirandamycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO7
Net Charge0
Average Mass417.458
Monoisotopic Mass417.17875
SMILESCC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C
InChIInChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18+,19+,21+,22+/m1/s1
InChIKeyURGUBECARCAPRI-UYWODMNRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces flaveolus (ncbitaxon:67297) - PubMed (5118218)
ChEBI Ontology
Outgoing Relation(s)
Tirandamycin A (CHEBI:205849) is a oxacycle (CHEBI:38104)
IUPAC Name 
(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,2S,4R,6S,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione
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