CHEBI:201315 - Tirandamycin C

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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 C
ChEBI ID CHEBI:201315
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29NO5
Net Charge 0
Average Mass 387.476
Monoisotopic Mass 387.20457
InChI InChI=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
InChIKey WWRZQUIPJGHZFD-AHGQDJORSA-N
SMILES O=C1NCC(C1=C(O)C=CC(=C[C@H]([C@H]2O[C@]3(O[C@@H]([C@@H]2C)CC=C3C)C)C)C)=O
Metabolite of Species Details
Streptomycesspecies 307-9 (NCBI:txid529089) See: PubMed
ChEBI Ontology
Outgoing 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