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CHEBI:222210 - Isotirandamycin B

ChEBI IDCHEBI:222210
ChEBI NameIsotirandamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO8
Net Charge0
Average Mass433.457
Monoisotopic Mass433.17367
SMILESCC(C=CC(O)=C1C(=O)CNC1=O)=C[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)[C@@H]3O[C@@]32CO)[C@@H]1C
InChIInChI=1S/C22H27NO8/c1-10(5-6-13(25)15-14(26)8-23-20(15)28)7-11(2)17-12(3)18-16(27)19-22(9-24,31-19)21(4,29-17)30-18/h5-7,11-12,17-19,24-25H,8-9H2,1-4H3,(H,23,28)/t11-,12-,17-,18+,19+,21+,22+/m1/s1
InChIKeyLYJKREGDQDJIDC-RXSAWIGCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30258222)
ChEBI Ontology
Outgoing Relation(s)
Isotirandamycin B (CHEBI:222210) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-[(6R)-1-hydroxy-6-[(1S,2S,4R,6S,7R,8R)-2-(hydroxymethyl)-1,7-dimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione