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platensimycin A1

Go to external page http://purl.obolibrary.org/obo/CHEBI_68242

A polycyclic cage that is the 5-hydroxy derivative of platensimycin. It is isolated from Streptomyces platensis.

Term info

Label

platensimycin A1

Synonyms
  • 2,4-dihydroxy-3-({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]propanoyl}amino)benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2,4-dihydroxy-3-({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]propanoyl}amino)benzoic acid [ IUPAC ]

charge

0

formula

C24H27NO8

has obo namespace

chebi_ontology

id

CHEBI:68242

inchi

InChI=1S/C24H27NO8/c1-22(7-6-16(28)25-17-13(26)4-3-12(18(17)29)20(30)31)15(27)5-8-24-10-11-9-14(19(22)24)33-23(11,2)21(24)32/h3-5,8,11,14,19,21,26,29,32H,6-7,9-10H2,1-2H3,(H,25,28)(H,30,31)/t11-,14+,19+,21+,22-,23-,24-/m1/s1

inchikey

PATOIDCKGDRHNH-XLBJIJRQSA-N

mass

457.47310

monoisotopicmass

457.17367

smiles

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