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platensimycin methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68237

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

Term info

Label

platensimycin methyl ester

Synonyms
  • methyl 3-({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]propanoyl}amino)-2,4-dihydroxybenzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 3-({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]propanoyl}amino)-2,4-dihydroxybenzoate [ IUPAC ]

charge

0

formula

C25H29NO7

has obo namespace

chebi_ontology

id

CHEBI:68237

inchi

InChI=1S/C25H29NO7/c1-23(8-7-18(29)26-19-15(27)5-4-14(20(19)30)22(31)32-3)17(28)6-9-25-11-13-10-16(21(23)25)33-24(13,2)12-25/h4-6,9,13,16,21,27,30H,7-8,10-12H2,1-3H3,(H,26,29)/t13-,16+,21+,23-,24+,25+/m1/s1

inchikey

BLKSEVPCJYYCLH-USZGVGCCSA-N

mass

455.50030

monoisotopicmass

455.19440

smiles

[H][C@]12C[C@@H]3O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)ccc(C(=O)OC)c2O)[C@]31[H]