EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197738 - Tirandamycin G

ChEBI IDCHEBI:197738
ChEBI NameTirandamycin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO7
Net Charge0
Average Mass421.490
Monoisotopic Mass421.21005
SMILESCC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H]([C@@H]1C)[C@H](O)[C@H](O)[C@H]2C
InChIInChI=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
InChIKeyUBJIPEORQUJGGG-SDXUQBBQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 17944 (ncbitaxon:1341149) - PubMed (21405052)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78436262ChemSpider