EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:200284 - Clavatustide B

ChEBI IDCHEBI:200284
ChEBI NameClavatustide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H23N3O5
Net Charge0
Average Mass457.486
Monoisotopic Mass457.16377
SMILESCN1CC(=O)Nc2ccccc2C(=O)Nc2ccccc2C(=O)O[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C26H23N3O5/c1-29-16-23(30)27-20-13-7-5-11-18(20)24(31)28-21-14-8-6-12-19(21)26(33)34-22(25(29)32)15-17-9-3-2-4-10-17/h2-14,22H,15-16H2,1H3,(H,27,30)(H,28,31)/t22-/m1/s1
InChIKeyRMBRIHHFOHNDLL-JOCHJYFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24317468)
ChEBI Ontology
Outgoing Relation(s)
Clavatustide B (CHEBI:200284) is a lactam (CHEBI:24995)
Clavatustide B (CHEBI:200284) is a macrolide (CHEBI:25106)
IUPAC Name 
(15R)-15-benzyl-13-methyl-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
30771369ChemSpider