CHEBI:205849 - Tirandamycin A

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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 A
ChEBI ID CHEBI:205849
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H27NO7
Net Charge 0
Average Mass 417.458
Monoisotopic Mass 417.17875
InChI InChI=1S/C22H27NO7/c1-10(6-7-13(24)15-14(25)9-23-20(15)27)8-11(2)17-12(3)18-16(26)19-21(4,30-19)22(5,28-17)29-18/h6-8,11-12,17-19,24H,9H2,1-5H3,(H,23,27)/b7-6+,10-8+,15-13+/t11-,12-,17-,18+,19+,21+,22+/m1/s1
InChIKey URGUBECARCAPRI-UYWODMNRSA-N
SMILES O=C1[C@H]2O[C@@](O[C@@H]([C@H]2C)[C@@H](/C=C(/C=C/C(/O)=C/3\C(=O)NCC3=O)\C)C)(C)[C@@]4([C@H]1O4)C
Metabolite of Species Details
Streptomyces flaveolus (NCBI:txid67297) See: PubMed
ChEBI Ontology
Outgoing Tirandamycin A (CHEBI:205849) is a oxacycle (CHEBI:38104)
IUPAC Name
(3E)-3-[(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1S,2S,4R,6S,7R,8R)-1,2,7-trimethyl-5-oxo-3,9,10-trioxatricyclo[4.3.1.02,4]decan-8-yl]hepta-2,4-dienylidene]pyrrolidine-2,4-dione
Manual Xref Database
26231493 ChemSpider
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