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CHEBI:214369 - 5-chlorosclerotiamide

ChEBI IDCHEBI:214369
ChEBI Name5-chlorosclerotiamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28ClN3O5
Net Charge0
Average Mass497.979
Monoisotopic Mass497.17175
SMILESCC1(C)C=Cc2c3c(cc(Cl)c2O1)[C@@]1(C(=O)N3)[C@H](O)[C@@]23NC(=O)[C@]4(CCCN4C2=O)C[C@H]3C1(C)C
InChIInChI=1S/C26H28ClN3O5/c1-22(2)8-6-12-16-13(10-14(27)17(12)35-22)25(20(33)28-16)18(31)26-15(23(25,3)4)11-24(19(32)29-26)7-5-9-30(24)21(26)34/h6,8,10,15,18,31H,5,7,9,11H2,1-4H3,(H,28,33)(H,29,32)/t15-,18-,24-,25-,26+/m0/s1
InChIKeyTVZRVAVYSDCSKC-ZUTUFOHQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (23701598)
ChEBI Ontology
Outgoing Relation(s)
5-chlorosclerotiamide (CHEBI:214369) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'R,3R,7'S,9'S,12'S)-5-chloro-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
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30811954ChemSpider