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CHEBI:222051 - Clavatustide A

ChEBI IDCHEBI:222051
ChEBI NameClavatustide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H25N3O5
Net Charge0
Average Mass471.513
Monoisotopic Mass471.17942
SMILESCCN1CC(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C27H25N3O5/c1-2-30-17-24(31)28-21-14-8-6-12-19(21)25(32)29-22-15-9-7-13-20(22)27(34)35-23(26(30)33)16-18-10-4-3-5-11-18/h3-15,23H,2,16-17H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyBFSIKMSQNXJMBS-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24317468)
ChEBI Ontology
Outgoing Relation(s)
Clavatustide A (CHEBI:222051) is a lactam (CHEBI:24995)
Clavatustide A (CHEBI:222051) is a macrolide (CHEBI:25106)
IUPAC Name 
(15R)-15-benzyl-13-ethyl-16-oxa-2,10,13-triazatricyclo[16.4.0.04,9]docosa-1(22),4,6,8,18,20-hexaene-3,11,14,17-tetrone
Manual XrefsDatabases
30771368ChemSpider