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CHEBI:226319 - Lugdunomycin

ChEBI IDCHEBI:226319
ChEBI NameLugdunomycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H23NO7
Net Charge0
Average Mass473.481
Monoisotopic Mass473.14745
SMILESCOc1cccc2c1[C@@H](O)[C@]13C[C@@H](O)C[C@]1(C(=O)NC3=O)[C@]21Oc2cc(C)cc3ccc(O)c1c23
InChIInChI=1S/C27H23NO7/c1-12-8-13-6-7-16(30)21-19(13)18(9-12)35-27(21)15-4-3-5-17(34-2)20(15)22(31)25-10-14(29)11-26(25,27)24(33)28-23(25)32/h3-9,14,22,29-31H,10-11H2,1-2H3,(H,28,32,33)/t14-,22-,25+,26-,27+/m1/s1
InChIKeyXNEKJJPKHQQNCM-WAFGBUBYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies QL37 (ncbitaxon:2093747) - PubMed (30656821)
ChEBI Ontology
Outgoing Relation(s)
Lugdunomycin (CHEBI:226319) is a lignan (CHEBI:25036)
IUPAC Name 
(1R,2S,9R,10S,15R)-5',9,15-trihydroxy-7-methoxy-10'-methylspiro[12-azatetracyclo[8.3.3.01,10.03,8]hexadeca-3(8),4,6-triene-2,3'-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene]-11,13-dione