Chem
J-GLOBAL ID：201007018166501021   Nikkaji number：J2.783.698D

Desmethyldescarbamoylnovobiocin

デスメチルデスカルバモイルノボビオチン
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： C29H33NO10
Molecular formula furigana： C29-H33-N-O10
Molecular weight： 555.580
InChI： InChI=1S/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/t22-,23+,25+,28+/m0/s1
InChI key： ZCIRPBAEIIAERP-ZJTSJXPUSA-N
SMILES： CC(=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c2oc1=O)C
Systematic name  (3)：
  • N-[4-ヒドロキシ-7-[[(2R,3R,4R,5R)-3,4,5-トリヒドロキシ-6,6-ジメチルテトラヒドロ-2H-ピラン-2-イル]オキシ]-8-メチル-2-オキソ-2H-1-ベンゾピラン-3-イル]-4-ヒドロキシ-3-(3-メチル-2-ブテニル)ベンズアミド
  • 4-ヒドロキシ-N-(4-ヒドロキシ-8-メチル-2-オキソ-7-{[(2R,3R,4R,5R)-3,4,5-トリヒドロキシ-6,6-ジメチルオキサン-2-イル]オキシ}-2H-クロメン-3-イル)-3-(3-メチルブタ-2-エン-1-イル)ベンズアミド
  • 4-hydroxy-N-(4-hydroxy-8-methyl-2-oxo-7-{[(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy}-2H-chromen-3-yl)-3-(3-methylbut-2-en-1-yl)benzamide
Other name (3)：
  • N-[4-Hydroxy-7-[[(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy]-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)benzamide
  • Desmethyldescarbamoylnovobiocin
  • デスメチルデスカルバモイルノボビオチン
KEGG COMPOUND： C12475
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