Chem
J-GLOBAL ID:201007014111413209   Nikkaji number:J2.783.682H

Chlorobiocic acid

クロロビオチン酸
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: C21H18ClNO6
Molecular formula furigana: C21-H18-CL-N-O6
Molecular weight: 415.830
InChI: InChI=1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27)
InChI key: GQENLIMEQYDTDJ-UHFFFAOYSA-N
SMILES: CC(=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O)C
Systematic name  (3):
  • N-(8-クロロ-4,7-ジヒドロキシ-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-(8-クロロ-4,7-ジヒドロキシ-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-(8-chloro-4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Other name (3):
  • N-(8-Chloro-4,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)benzamide
  • Chlorobiocic acid
  • クロロビオチン酸
CAS registry number: 114515-20-7
KEGG COMPOUND: C12471
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