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platensimycin B4 methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68240

A polycyclic cage that is the methyl ester derivative of platensimycin B4. It is isolated from Streptomyces platensis.

Term info

Label

platensimycin B4 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)-4-(beta-L-glucopyranosyloxy)-2-hydroxybenzoate
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)-4-(beta-L-glucopyranosyloxy)-2-hydroxybenzoate [ IUPAC ]

charge

0

formula

C31H39NO12

has obo namespace

chebi_ontology

id

CHEBI:68240

inchi

InChI=1S/C31H39NO12/c1-29(19(34)6-9-31-11-14-10-17(26(29)31)44-30(14,2)13-31)8-7-20(35)32-21-16(5-4-15(22(21)36)27(40)41-3)42-28-25(39)24(38)23(37)18(12-33)43-28/h4-6,9,14,17-18,23-26,28,33,36-39H,7-8,10-13H2,1-3H3,(H,32,35)/t14-,17+,18+,23+,24-,25+,26+,28+,29-,30+,31+/m1/s1

inchikey

HZTAOXBAUZXJML-XQBRAWNUSA-N

mass

617.64090

monoisotopicmass

617.24723

smiles

[H][C@]12C[C@]3([H])O[C@@]1(C)C[C@@]1(C2)C=CC(=O)[C@@](C)(CCC(=O)Nc2c(O)c(ccc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=O)OC)[C@]31[H]