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CHEBI:226679 - Nivelactam B

ChEBI IDCHEBI:226679
ChEBI NameNivelactam B
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FormulaC29H39NO4
Net Charge0
Average Mass465.634
Monoisotopic Mass465.28791
SMILESCCC/C=C/C=C/CC1CC(O)[C@@H](O)[C@@H]2/C(C)=C/[C@H]3C=C[C@H]4O[C@H]4[C@@H]3/C(C)=C/C=C\[C@@H]2C(=O)N1
InChIInChI=1S/C29H39NO4/c1-4-5-6-7-8-9-12-21-17-23(31)27(32)26-19(3)16-20-14-15-24-28(34-24)25(20)18(2)11-10-13-22(26)29(33)30-21/h6-11,13-16,20-28,31-32H,4-5,12,17H2,1-3H3,(H,30,33)/b7-6+,9-8+,13-10-,18-11+,19-16+/t20-,21?,22+,23?,24-,25-,26-,27-,28-/m1/s1
InChIKeyDFRSAXDUKXRQOM-SQUVOPNFSA-N
ChEBI Ontology
Outgoing Relation(s)
Nivelactam B (CHEBI:226679) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
(1S,2E,4R,7R,9S,10S,11E,13Z,15S,21S)-20,21-dihydroxy-2,11-dimethyl-18-[(2E,4E)-octa-2,4-dienyl]-8-oxa-17-azatetracyclo[13.6.0.04,10.07,9]henicosa-2,5,11,13-tetraen-16-one
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