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CHEBI:213456 - Nocardiopsin A

ChEBI IDCHEBI:213456
ChEBI NameNocardiopsin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H51NO7
Net Charge0
Average Mass573.771
Monoisotopic Mass573.36655
SMILESCCC(=O)CC(O)C1(C)CC(C)C2CCC(CC/C=C(/C)C(=O)C(C)CC/C=C\C(=O)N3CCCC[C@H]3C(=O)O1)O2
InChIInChI=1S/C33H51NO7/c1-6-25(35)20-29(36)33(5)21-24(4)28-18-17-26(40-28)14-11-13-23(3)31(38)22(2)12-7-8-16-30(37)34-19-10-9-15-27(34)32(39)41-33/h8,13,16,22,24,26-29,36H,6-7,9-12,14-15,17-21H2,1-5H3/b16-8-,23-13-/t22?,24?,26?,27-,28?,29?,33?/m0/s1
InChIKeyUMKYPSRHNFTVJD-ZQWPKFNTSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis (ncbitaxon:2013) - PubMed (20112311)
ChEBI Ontology
Outgoing Relation(s)
Nocardiopsin A (CHEBI:213456) is a lactam (CHEBI:24995)
Nocardiopsin A (CHEBI:213456) is a macrolide (CHEBI:25106)
IUPAC Name 
(7S,14Z,20Z)-4-(1-hydroxy-3-oxopentyl)-2,4,18,20-tetramethyl-5,27-dioxa-12-azatricyclo[22.2.1.07,12]heptacosa-14,20-diene-6,13,19-trione
Manual XrefsDatabases
78445701ChemSpider