Chem
J-GLOBAL ID:201007061576125720   Nikkaji number:J2.783.701H

Descarbamoylnovobiocin

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: C30H35NO10
Molecular formula furigana: C30-H35-N-O10
Molecular weight: 569.607
InChI: InChI=1S/C30H35NO10/c1-14(2)7-8-16-13-17(9-11-19(16)32)27(36)31-21-22(33)18-10-12-20(15(3)25(18)40-28(21)37)39-29-24(35)23(34)26(38-6)30(4,5)41-29/h7,9-13,23-24,26,29,32-35H,8H2,1-6H3,(H,31,36)/t23-,24+,26+,29+/m0/s1
InChI key: UZHGFJZFJRMSOS-NANZAVOOSA-N
SMILES: CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Systematic name  (3):
  • N-[4-ヒドロキシ-7-[[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-メトキシ-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
  • N-(7-{[(2R,3R,4S,5R)-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)-4-ヒドロキシ-3-(3-メチルブタ-2-エン-1-イル)ベンズアミド
  • N-(7-{[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Other name (3):
  • N-[4-Hydroxy-7-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-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
  • Descarbamoylnovobiocin
  • デスカルバモイルノボビオチン
KEGG COMPOUND: C12476
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