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CHEBI:68238 - platensimycin B1

ChEBI IDCHEBI:68238
ChEBI Nameplatensimycin B1
Stars
DefinitionA polycyclic cage that is the benzamide derivative of platensimycin. It is isolated from Streptomyces platensis.
Last Modified6 September 2013
DownloadsMolfile
FormulaC24H28N2O6
Net Charge0
Average Mass440.496
Monoisotopic Mass440.19474
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(N)=O)c5O)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C24H28N2O6/c1-22(7-6-17(29)26-18-14(27)4-3-13(19(18)30)21(25)31)16(28)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,27,30H,6-7,9-11H2,1-2H3,(H2,25,31)(H,26,29)/t12-,15+,20+,22-,23+,24+/m1/s1
InChIKeyKUDPXYYGDAJFNU-OFBLZTNGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253) Strain: MA7327
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
platensimycin B1 (CHEBI:68238) has functional parent platensimycin (CHEBI:68236)
platensimycin B1 (CHEBI:68238) has role metabolite (CHEBI:25212)
platensimycin B1 (CHEBI:68238) is a benzamides (CHEBI:22702)
platensimycin B1 (CHEBI:68238) is a cyclic ether (CHEBI:37407)
platensimycin B1 (CHEBI:68238) is a cyclic ketone (CHEBI:3992)
platensimycin B1 (CHEBI:68238) is a polycyclic cage (CHEBI:33640)
platensimycin B1 (CHEBI:68238) is a resorcinols (CHEBI:33572)
IUPAC Name 
3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzamide
Registry NumbersSources
Reaxys:19317592Reaxys
Citations