CHEBI:228097 - Seco-clavatustide B

ChEBI IDCHEBI:228097
ChEBI NameSeco-clavatustide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27N3O6
Net Charge0
Average Mass489.528
Monoisotopic Mass489.18999
SMILESCOC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)CN(C)C(=O)[C@H](O)Cc1ccccc1
InChIInChI=1S/C27H27N3O6/c1-30(26(34)23(31)16-18-10-4-3-5-11-18)17-24(32)28-21-14-8-6-12-19(21)25(33)29-22-15-9-7-13-20(22)27(35)36-2/h3-15,23,31H,16-17H2,1-2H3,(H,28,32)(H,29,33)/t23-/m1/s1
InChIKeyRXLNSJFXNXSUPN-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2019.09.004)
ChEBI Ontology
Outgoing Relation(s)
Seco-clavatustide B (CHEBI:228097) is a benzamides (CHEBI:22702)
IUPAC Name 
methyl 2-[[2-[[2-[[(2R)-2-hydroxy-3-phenylpropanoyl]-methylamino]acetyl]amino]benzoyl]amino]benzoate
Manual XrefsDatabases
80564756ChemSpider