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CHEBI:68260 - 13-hydroxyplatencinic acid methyl ester

ChEBI IDCHEBI:68260
ChEBI Name13-hydroxyplatencinic acid methyl ester
Stars
DefinitionA polycyclic cage with a 3-methoxy-3-oxopropyl side chain. It is isolated from Streptomyces platensis.
Last Modified3 March 2015
DownloadsMolfile
FormulaC18H24O4
Net Charge0
Average Mass304.386
Monoisotopic Mass304.16746
SMILES[H][C@]12C[C@@H](O)[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)OC)[C@]3([H])C1)CC2=C
InChIInChI=1S/C18H24O4/c1-11-10-18-7-4-14(19)17(2,6-5-16(21)22-3)13(18)8-12(11)9-15(18)20/h4,7,12-13,15,20H,1,5-6,8-10H2,2-3H3/t12-,13+,15-,17+,18+/m1/s1
InChIKeySFPJDANZIPLSTD-ASZYTAPTSA-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)
13-hydroxyplatencinic acid methyl ester (CHEBI:68260) has role metabolite (CHEBI:25212)
13-hydroxyplatencinic acid methyl ester (CHEBI:68260) is a cyclic ketone (CHEBI:3992)
13-hydroxyplatencinic acid methyl ester (CHEBI:68260) is a methyl ester (CHEBI:25248)
13-hydroxyplatencinic acid methyl ester (CHEBI:68260) is a polycyclic cage (CHEBI:33640)
13-hydroxyplatencinic acid methyl ester (CHEBI:68260) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
methyl 3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoate
Citations