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CHEBI:68259 - 14-hydroxyplatensic acid methyl ester

ChEBI IDCHEBI:68259
ChEBI Name14-hydroxyplatensic acid methyl ester
Stars
DefinitionA polycyclic cage that is the methyl ester derivative of 14-hydroxyplatensic acid. It is isolated from Streptomyces platensis.
Last Modified3 March 2015
DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILES[H][C@]12C[C@]34C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]3([H])[C@]([H])(C1)O[C@@]2(C)[C@@H]4O
InChIInChI=1S/C18H24O5/c1-16(6-5-13(20)22-3)12(19)4-7-18-9-10-8-11(14(16)18)23-17(10,2)15(18)21/h4,7,10-11,14-15,21H,5-6,8-9H2,1-3H3/t10-,11+,14+,15+,16-,17-,18-/m1/s1
InChIKeyFBBBYTFYYNYGMH-MKJSHFIQSA-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)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) has functional parent 14-hydroxyplatensic acid (CHEBI:68258)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) has role metabolite (CHEBI:25212)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) is a cyclic ether (CHEBI:37407)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) is a cyclic ketone (CHEBI:3992)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) is a methyl ester (CHEBI:25248)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) is a polycyclic cage (CHEBI:33640)
14-hydroxyplatensic acid methyl ester (CHEBI:68259) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
methyl 3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-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
Citations