platensimycin A3 methyl ester
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http://purl.obolibrary.org/obo/CHEBI_68262
A polycyclic cage that is the methyl ester derivative of 7-hydroxy substituted platensimycin. It is isolated from Streptomyces platensis.
Term info
Label
platensimycin A3 methyl ester
Synonyms
- methyl 2,4-dihydroxy-3-({3-[(1S,4aS,6S,7R,9S,9aR)-7-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
Subsets
3_STAR
IUPAC NAME
methyl 2,4-dihydroxy-3-({3-[(1S,4aS,6S,7R,9S,9aR)-7-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:68262
inchi
InChI=1S/C25H29NO8/c1-22(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-24-11-23(2)25(32,12-24)10-15(34-23)20(22)24/h4-6,9,15,20,27,30,32H,7-8,10-12H2,1-3H3,(H,26,29)/t15-,20-,22+,23-,24+,25-/m0/s1
inchikey
SNYJGFQPMREKTL-RIBUPEPRSA-N
mass
471.49970
monoisotopicmass
471.18932
smiles
[H][C@@]12C[C@]3(O)C[C@]4(C[C@]3(C)O1)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]24[H]