CHEBI:202312 - Tirandamycin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tirandamycin D
ChEBI ID CHEBI:202312
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27NO6
Net Charge 0
Average Mass 401.459
Monoisotopic Mass 401.18384
InChI InChI=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
InChIKey WORJTWSOUPGODS-QFBRIWFWSA-N
SMILES O=C1C=C([C@]2(O[C@@H]([C@H]([C@@H]1O2)C)[C@@H](C=C(C=CC(O)=C3C(=O)NCC3=O)C)C)C)C
Metabolite of Species Details
Streptomycesspecies 307-9 (NCBI:txid529089) See: PubMed
ChEBI Ontology
Outgoing 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