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CHEBI:200281 - Tirandamycin K

ChEBI IDCHEBI:200281
ChEBI NameTirandamycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO7
Net Charge0
Average Mass423.506
Monoisotopic Mass423.22570
SMILESCC(=O)[C@H](C)[C@H](O)C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C/C(O)=C1C(=O)CNC1=O
InChIInChI=1S/C22H33NO7/c1-11(6-7-16(25)20-19(28)10-23-22(20)30)8-12(2)21(29)14(4)18(27)9-17(26)13(3)15(5)24/h6-8,12-14,17-18,21,25-27,29H,9-10H2,1-5H3,(H,23,30)/b7-6+,11-8+,20-16?/t12-,13+,14+,17-,18+,21-/m1/s1
InChIKeyGNAYWSKUDSTFNI-LGOCCUDOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28989201)
ChEBI Ontology
Outgoing Relation(s)
Tirandamycin K (CHEBI:200281) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-[(2E,4E,6R,7R,8S,9S,11R,12R)-1,7,9,11-tetrahydroxy-4,6,8,12-tetramethyl-13-oxotetradeca-2,4-dienylidene]pyrrolidine-2,4-dione
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78436600ChemSpider