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CHEBI:68244 - platensimycin B2

ChEBI IDCHEBI:68244
ChEBI Nameplatensimycin B2
Stars
ASCII Nameplatensimycin B2
DefinitionA polycyclic cage that is platensimycin with a 1,3-oxazinane ring fused onto the aromatic ring. It is isolated from Streptomyces platensis.
Last Modified6 March 2014
DownloadsMolfile
FormulaC25H26N2O7
Net Charge0
Average Mass466.490
Monoisotopic Mass466.17400
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc6c(=O)nc(=O)oc56)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C25H26N2O7/c1-23(16(29)5-8-25-10-12-9-15(20(23)25)34-24(12,2)11-25)7-6-17(30)26-18-14(28)4-3-13-19(18)33-22(32)27-21(13)31/h3-5,8,12,15,20,28H,6-7,9-11H2,1-2H3,(H,26,30)(H,27,31,32)/t12-,15+,20+,23-,24+,25+/m1/s1
InChIKeyQPYJCWMWYJIYBV-YURBTCIXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (21214253) Strain: MA7327
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
platensimycin B2 (CHEBI:68244) has functional parent platensimycin (CHEBI:68236)
platensimycin B2 (CHEBI:68244) has role bacterial metabolite (CHEBI:76969)
platensimycin B2 (CHEBI:68244) is a aromatic amide (CHEBI:62733)
platensimycin B2 (CHEBI:68244) is a benzoxazine (CHEBI:46969)
platensimycin B2 (CHEBI:68244) is a cyclic ether (CHEBI:37407)
platensimycin B2 (CHEBI:68244) is a cyclic ketone (CHEBI:3992)
platensimycin B2 (CHEBI:68244) is a monocarboxylic acid amide (CHEBI:29347)
platensimycin B2 (CHEBI:68244) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
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]-N-(7-hydroxy-2,4-dioxo-3,4-dihydro-2H-1,3-benzoxazin-8-yl)propanamide
Registry NumbersSources
Reaxys:19317593Reaxys
Citations