CHEBI:197738 - Tirandamycin G

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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 G
ChEBI ID CHEBI:197738
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H31NO7
Net Charge 0
Average Mass 421.490
Monoisotopic Mass 421.21005
InChI InChI=1S/C22H31NO7/c1-10(6-7-14(24)16-15(25)9-23-21(16)28)8-11(2)19-12(3)20-18(27)17(26)13(4)22(5,29-19)30-20/h6-8,11-13,17-20,24,26-27H,9H2,1-5H3,(H,23,28)/b7-6+,10-8+,16-14+/t11-,12-,13-,17-,18-,19-,20+,22+/m1/s1
InChIKey UBJIPEORQUJGGG-SDXUQBBQSA-N
SMILES O=C/1NCC(\C1=C(/O)\C=C\C(=C\[C@H]([C@H]2O[C@]3(O[C@@H]([C@@H]2C)[C@H](O)[C@@H]([C@H]3C)O)C)C)\C)=O
Metabolite of Species Details
Streptomycesspecies 17944 (NCBI:txid1341149) See: PubMed
ChEBI Ontology
Outgoing Tirandamycin G (CHEBI:197738) is a ketal (CHEBI:59777)
IUPAC Name
(3E)-3-[(2E,4E,6R)-6-[(1S,3R,4R,5S,6R,7R,8R)-6,7-dihydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione
Manual Xref Database
78436262 ChemSpider
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