CHEBI:218200 - Iso-notoamide B

ChEBI IDCHEBI:218200
ChEBI NameIso-notoamide B
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SubmitterMetaboLights
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FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESCC1(C)C=Cc2cc3c(cc2O1)NC(=O)[C@]31C[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]3C1(C)C
InChIInChI=1S/C26H29N3O4/c1-22(2)8-6-14-10-15-16(11-17(14)33-22)27-20(31)25(15)13-26-18(23(25,3)4)12-24(19(30)28-26)7-5-9-29(24)21(26)32/h6,8,10-11,18H,5,7,9,12-13H2,1-4H3,(H,27,31)(H,28,30)/t18-,24-,25-,26-/m0/s1
InChIKeyXLSISWUDRYYGNI-UZTPZCRESA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (30016097)
ChEBI Ontology
Outgoing Relation(s)
Iso-notoamide B (CHEBI:218200) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1S,7S,9S,11S)-2',2',10,10-tetramethylspiro[3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-11,6'-8H-pyrano[3,2-]indole]-2,7',14-trione
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