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platensimycin A5 methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68264

A polycyclic cage compound that is the methyl ester derivative of the dihydroxy substituted platensimycin. It is isolated from Streptomyces platensis.

Term info

Label

platensimycin A5 methyl ester

Synonyms
  • methyl 2,4-dihydroxy-3-({3-[(1S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 2,4-dihydroxy-3-({3-[(1S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoate [ IUPAC ]

charge

0

formula

C25H31NO8

has obo namespace

chebi_ontology

id

CHEBI:68264

inchi

InChI=1S/C25H31NO8/c1-23(9-8-19(30)26-20-16(28)5-4-15(21(20)31)22(32)34-2)17-6-3-14-11-24(17,10-7-18(23)29)12-25(14,33)13-27/h4-5,7,10,14,17,27-28,31,33H,3,6,8-9,11-13H2,1-2H3,(H,26,30)/t14?,17?,23-,24?,25?/m0/s1

inchikey

LNVBATHWLFVZRW-HURMGZDQSA-N

mass

473.51550

monoisotopicmass

473.20497

smiles

COC(=O)c1ccc(O)c(NC(=O)CC[C@@]2(C)C3CCC4CC3(CC4(O)CO)C=CC2=O)c1O