EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201541 - Nodusmicin

ChEBI IDCHEBI:201541
ChEBI NameNodusmicin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34O7
Net Charge0
Average Mass422.518
Monoisotopic Mass422.23045
SMILESCOC1CC2C=CC3C4OC2(C(C)=CC(C)C(C(C)O)OC1=O)C3C(O)C(C)C4O
InChIInChI=1S/C23H34O7/c1-10-8-11(2)23-14(9-16(28-5)22(27)29-20(10)13(4)24)6-7-15-17(23)18(25)12(3)19(26)21(15)30-23/h6-8,10,12-21,24-26H,9H2,1-5H3
InChIKeyLUCYVUUQBYQHOV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nodusmicin (CHEBI:201541) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,3R,4R,5R,6R,7S,8R,11S,13S,16S,17R,18Z)-4,6-dihydroxy-16-[(1R)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-2,15-dioxatetracyclo[9.8.0.01,7.03,8]nonadeca-9,18-dien-14-one
Manual XrefsDatabases
82951824ChemSpider