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CHEBI:68257 - platensic acid methyl ester

ChEBI IDCHEBI:68257
ChEBI Nameplatensic acid methyl ester
Stars
DefinitionA polycyclic cage that is the methyl ester derivative of platensic acid. It is isolated from Streptomyces platensis.
Last Modified6 March 2015
DownloadsMolfile
FormulaC18H24O4
Net Charge0
Average Mass304.386
Monoisotopic Mass304.16746
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)C4
InChIInChI=1S/C18H24O4/c1-16(6-5-14(20)21-3)13(19)4-7-18-9-11-8-12(15(16)18)22-17(11,2)10-18/h4,7,11-12,15H,5-6,8-10H2,1-3H3/t11-,12+,15+,16-,17+,18+/m1/s1
InChIKeyNUIVTFDVMXNHQW-URWOFZPHSA-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)
platensic acid methyl ester (CHEBI:68257) has functional parent platensic acid (CHEBI:68256)
platensic acid methyl ester (CHEBI:68257) has role metabolite (CHEBI:25212)
platensic acid methyl ester (CHEBI:68257) is a cyclic ether (CHEBI:37407)
platensic acid methyl ester (CHEBI:68257) is a cyclic ketone (CHEBI:3992)
platensic acid methyl ester (CHEBI:68257) is a methyl ester (CHEBI:25248)
platensic acid methyl ester (CHEBI:68257) is a polycyclic cage (CHEBI:33640)
IUPAC Name 
methyl 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]propanoate
Synonym  Source
methyl platensinoateChEBI
Registry NumbersSources
Reaxys:19006908Reaxys
Citations