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CHEBI:209267 - Sclerotiamide

ChEBI IDCHEBI:209267
ChEBI NameSclerotiamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O5
Net Charge0
Average Mass463.534
Monoisotopic Mass463.21072
SMILESCC1(C)C=Cc2c(ccc3c2NC(=O)[C@@]32[C@H](O)[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1
InChIInChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1
InChIKeyCFJMAERFDLWMJL-LQKPOZSPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sclerotiorum (ncbitaxon:138282) - PubMed (8946752)
ChEBI Ontology
Outgoing Relation(s)
Sclerotiamide (CHEBI:209267) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'R,3R,7'S,9'S,12'S)-12'-hydroxy-7,7,10',10'-tetramethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,2',14'-trione
Manual XrefsDatabases
8823143ChemSpider