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CHEBI:202312 - Tirandamycin D

ChEBI IDCHEBI:202312
ChEBI NameTirandamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO6
Net Charge0
Average Mass401.459
Monoisotopic Mass401.18384
SMILESCC(C=CC(O)=C1C(=O)CNC1=O)=C[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C(=O)C=C2C)[C@@H]1C
InChIInChI=1S/C22H27NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,19-20,24H,10H2,1-5H3,(H,23,27)/t12-,14-,19-,20+,22+/m1/s1
InChIKeyWORJTWSOUPGODS-QFBRIWFWSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 307-9 (ncbitaxon:529089) - PubMed (19883065)
ChEBI Ontology
Outgoing Relation(s)
Tirandamycin D (CHEBI:202312) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[(6R)-1-hydroxy-4-methyl-6-[(1S,3R,4R,5S)-1,4,8-trimethyl-6-oxo-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione