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CHEBI:216085 - 18-O-acetyl-nodusmicin

ChEBI IDCHEBI:216085
ChEBI Name18-O-acetyl-nodusmicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O8
Net Charge0
Average Mass464.555
Monoisotopic Mass464.24102
SMILESCO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@]2(/C(C)=C/[C@@H](C)[C@@H]([C@@H](C)OC(C)=O)OC1=O)[C@@H]3[C@H](O)[C@@H](C)[C@H]4O
InChIInChI=1S/C25H36O8/c1-11-9-12(2)25-16(7-8-17-19(25)20(27)13(3)21(28)23(17)33-25)10-18(30-6)24(29)32-22(11)14(4)31-15(5)26/h7-9,11,13-14,16-23,27-28H,10H2,1-6H3/b12-9+/t11-,13-,14-,16-,17-,18+,19+,20-,21-,22+,23-,25+/m1/s1
InChIKeyIKCHJTKUZUTFGL-AKDNBQDSSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies CS682 (ncbitaxon:1047172) - PubMed (32208643)
ChEBI Ontology
Outgoing Relation(s)
18-O-acetyl-nodusmicin (CHEBI:216085) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1R)-1-[(1S,3R,4R,5R,6R,7S,8R,11S,13S,16S,17R,18E)-4,6-dihydroxy-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-16-yl]ethyl] acetate