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CHEBI:216091 - 18-O-aacetyl-nargenicin

Default Structure
ChEBI IDCHEBI:216091
ChEBI Name18-O-aacetyl-nargenicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H39NO9
Net Charge0
Average Mass557.640
Monoisotopic Mass557.26248
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]4OC(=O)c1cccn1
InChIInChI=1S/C30H39NO9/c1-14-12-15(2)30-19(13-22(36-6)29(35)38-25(14)17(4)37-18(5)32)9-10-20-23(30)24(33)16(3)26(27(20)40-30)39-28(34)21-8-7-11-31-21/h7-12,14,16-17,19-20,22-27,31,33H,13H2,1-6H3/b15-12+/t14-,16-,17-,19-,20-,22+,23+,24-,25+,26-,27-,30+/m1/s1
InChIKeyHOKIMOUIHKIILX-UHSKZDEZSA-N
Species of MetaboliteComponentSourceComments
Nocardiaspecies CS682 (ncbitaxon:1047172) - PubMed (32208643)
ChEBI Ontology
Outgoing Relation(s)
18-O-aacetyl-nargenicin (CHEBI:216091) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1S,3R,4R,5R,6R,7S,8R,11S,13S,16S,17R,18E)-16-[(1R)-1-acetyloxyethyl]-6-hydroxy-13-methoxy-5,17,19-trimethyl-14-oxo-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-4-yl] 1H-pyrrole-2-carboxylate