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platensimycin A4 methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68263

A polycyclic cage compound isolated from Streptomyces platensis.

Term info

Label

platensimycin A4 methyl ester

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

charge

0

formula

C25H29NO8

has obo namespace

chebi_ontology

id

CHEBI:68263

inchi

InChI=1S/C25H29NO8/c1-23(7-6-18(30)26-19-15(28)4-3-14(20(19)31)22(32)33-2)17(29)5-8-24-10-13-9-16(21(23)24)34-25(13,11-24)12-27/h3-5,8,13,16,21,27-28,31H,6-7,9-12H2,1-2H3,(H,26,30)/t13-,16+,21+,23-,24+,25-/m1/s1

inchikey

QDHJODLKDXVQTN-MCCMHAQWSA-N

mass

471.49970

monoisotopicmass

471.18932

smiles

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