Chem
J-GLOBAL ID：200907067483570055   Nikkaji number：J1.844.293K

Coumermycin D

クメルマイシンD
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C43H49N3O18
Molecular formula furigana： C43-H49-N3-O18
Molecular weight： 895.868
InChI： InChI=1S/C43H49N3O18/c1-15-20(36(53)45-24-26(47)18-10-12-21(16(2)32(18)61-38(24)55)59-40-30(51)28(49)34(57-8)42(4,5)63-40)14-44-23(15)37(54)46-25-27(48)19-11-13-22(17(3)33(19)62-39(25)56)60-41-31(52)29(50)35(58-9)43(6,7)64-41/h10-14,28-31,34-35,40-41,44,47-52H,1-9H3,(H,45,53)(H,46,54)/t28-,29-,30+,31+,34-,35-,40+,41+/m0/s1
InChI key： MDWKFXALIRELND-CPFZUNDNSA-N
SMILES： CO[C@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@@H](OC)[C@@H](O)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
Systematic name  (3)：
  • N,N′-ビス[7-[(5,4-O-ジメチル-6-デオキシ-α-L-lyxo-ヘキソピラノシル)オキシ]-4-ヒドロキシ-8-メチル-2-オキソ-2H-1-ベンゾピラン-3-イル]-3-メチル-1H-ピロール-2,4-ジカルボアミド
  • N2,N4-ビス(7-{[(2R,3R,4S,5S)-3,4-ジヒドロキシ-5-メトキシ-6,6-ジメチルオキサン-2-イル]オキシ}-4-ヒドロキシ-8-メチル-2-オキソ-2H-クロメン-3-イル)-3-メチル-1H-ピロール-2,4-ジカルボキサミド
  • N2,N4-bis(7-{[(2R,3R,4S,5S)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-3-methyl-1H-pyrrole-2,4-dicarboxamide
Other name (3)：
  • N,N′-Bis[7-[(5,4-O-dimethyl-6-deoxy-α-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-3-methyl-1H-pyrrole-2,4-dicarboxamide
  • クメルマイシンD
  • Coumermycin D
KEGG COMPOUND： C12480
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM