Chem
J-GLOBAL ID:200907095870769300
Nikkaji number:J1.573C
Citrinin
シトリニン
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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:
C13 H14 O5
Molecular formula furigana:
C13-H14-O5
Molecular weight:
250.250
InChI:
InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChI key:
CQIUKKVOEOPUDV-IYSWYEEDSA-N
SMILES:
C[C@H]1OC=C2C(=C(C(=O)O)C(=O)C(=C2[C@@H]1C)C)O
Systematic name (6):
(3R)-4,6-ジヒドロ-8-ヒドロキシ-3α,4β,5-トリメチル-6-オキソ-3H-2-ベンゾピラン-7-カルボン酸
4,6-ジヒドロ-8-ヒドロキシ-3α,4β,5-トリメチル-6-オキソ-3H-2-ベンゾピラン-7-カルボン酸
(3R)-3α,4β,5-トリメチル-6-オキソ-8-ヒドロキシ-3,4-ジヒドロ-6H-2-ベンゾピラン-7-カルボン酸
(3R,4S)-3,4,5-トリメチル-6-オキソ-8-ヒドロキシ-4,6-ジヒドロ-3H-2-ベンゾピラン-7-カルボン酸
(3R,4S)-8-ヒドロキシ-3,4,5-トリメチル-6-オキソ-4,6-ジヒドロ-3H-2-ベンゾピラン-7-カルボン酸
(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-2-benzopyran-7-carboxylic acid
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Other name (8):
シトリニン
Citrinin
4,6-Dihydro-8-hydroxy-3α,4β,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
(3R)-4,6-Dihydro-8-hydroxy-3α,4β,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
(-)-シトリニン
(3R)-3α,4β,5-Trimethyl-6-oxo-8-hydroxy-3,4-dihydro-6H-2-benzopyran-7-carboxylic acid
(3R,4S)-3,4,5-Trimethyl-6-oxo-8-hydroxy-4,6-dihydro-3H-2-benzopyran-7-carboxylic acid
(-)-Citrinin
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CAS registry number:
518-75-2
Regulation number (2):
Application (2):
mycotoxin
, antibacterial drug
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