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platensimycin A2 methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68261

A polycyclic cage that is the methyl ester derivative of 11-hydroxy substituted platensimycin. It is isolated from Streptomyces platensis.

Term info

Label

platensimycin A2 methyl ester

Synonyms
  • methyl 2,4-dihydroxy-3-({3-[(1S,4aR,6S,7R,9S,9aR,11R)-11-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)benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 2,4-dihydroxy-3-({3-[(1S,4aR,6S,7R,9S,9aR,11R)-11-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)benzoate [ IUPAC ]

charge

0

formula

C25H29NO8

has obo namespace

chebi_ontology

id

CHEBI:68261

inchi

InChI=1S/C25H29NO8/c1-23(8-7-17(29)26-18-14(27)5-4-12(19(18)30)22(32)33-3)16(28)6-9-25-11-24(2)13(21(25)31)10-15(34-24)20(23)25/h4-6,9,13,15,20-21,27,30-31H,7-8,10-11H2,1-3H3,(H,26,29)/t13-,15+,20+,21-,23-,24+,25+/m1/s1

inchikey

CSEORCWUBZJLKU-DORBYWMYSA-N

mass

471.49970

monoisotopicmass

471.18932

smiles

[H][C@@]12C[C@]3([H])[C@@H](O)[C@]4(C[C@]3(C)O1)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]24[H]