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CHEBI:201315 - Tirandamycin C

ChEBI IDCHEBI:201315
ChEBI NameTirandamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO5
Net Charge0
Average Mass387.476
Monoisotopic Mass387.20457
SMILESCC(C=CC(O)=C1C(=O)CNC1=O)=C[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](CC=C2C)[C@@H]1C
InChIInChI=1S/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/t13-,15+,18-,20-,22-/m1/s1
InChIKeyWWRZQUIPJGHZFD-AHGQDJORSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 307-9 (ncbitaxon:529089) - PubMed (19883065)
ChEBI Ontology
Outgoing Relation(s)
Tirandamycin C (CHEBI:201315) is a ketal (CHEBI:59777)
IUPAC Name 
3-[(6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione