Chem
J-GLOBAL ID:200907045962924232
Nikkaji number:J742.671B
2′R-Ochratoxin A
2′R-オクラトキシンA
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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:
C20 H18 ClNO6
Molecular formula furigana:
C20-H18-CL-N-O6
Molecular weight:
403.820
InChI:
InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1
InChI key:
RWQKHEORZBHNRI-MEBBXXQBSA-N
SMILES:
C[C@@H]1Cc2c(Cl)cc(C(=O)N[C@H](Cc3ccccc3)C(=O)O)c(O)c2C(=O)O1
Systematic name (5):
(3R)-5-クロロ-N-[(αR)-α-カルボキシフェネチル]-8-ヒドロキシ-3-メチル-3,4-ジヒドロ-1-オキソ-1H-2-ベンゾピラン-7-カルボアミド
N-[[(R)-5-クロロ-3,4-ジヒドロ-8-ヒドロキシ-3α-メチル-1-オキソ-1H-2-ベンゾピラン]-7-イルカルボニル]-D-フェニルアラニン
(αR)-α-[[(3R)-5-クロロ-8-ヒドロキシ-3,4-ジヒドロ-3-メチル-1-オキソ-1H-2-ベンゾピラン-7-イル]カルボニルアミノ]ベンゼンプロパン酸
(2R)-2-{[(3R)-5-クロロ-8-ヒドロキシ-3-メチル-1-オキソ-3,4-ジヒドロ-1H-2-ベンゾピラン-7-イル]ホルムアミド}-3-フェニルプロパン酸
(2R)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl]formamido}-3-phenylpropanoic acid
Other name (7):
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