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CHEBI:226706 - (-)-spiromalbramide

ChEBI IDCHEBI:226706
ChEBI Name(-)-spiromalbramide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23Cl2N3O2
Net Charge0
Average Mass420.340
Monoisotopic Mass419.11673
SMILESCC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(C[C@@]12C(=O)Nc1cc(Cl)c(Cl)cc12)NC4=O
InChIInChI=1S/C21H23Cl2N3O2/c1-18(2)15-8-20-4-3-5-26(20)10-19(15,25-16(20)27)9-21(18)11-6-12(22)13(23)7-14(11)24-17(21)28/h6-7,15H,3-5,8-10H2,1-2H3,(H,24,28)(H,25,27)/t15-,19+,20-,21+/m0/s1
InChIKeyGOAWOFRXKDBTDF-PSMQTCRGSA-N
Species of MetaboliteComponentSourceComments
Malbranchea graminicola (ncbitaxon:465706) - PubMed (21682275)
ChEBI Ontology
Outgoing Relation(s)
(-)-spiromalbramide (CHEBI:226706) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1'S,3R,7'S,9'S)-5,6-dichloro-10',10'-dimethylspiro[1H-indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,14'-dione
Manual XrefsDatabases
28185146ChemSpider