Chem
J-GLOBAL ID：200907096540625201
Nikkaji number：J1.476.818A
cis-Blechnic acid
cis-ブレクニン酸
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
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
Molecular formula： C18H14O8
Molecular formula furigana： C18-H14-O8
Molecular weight： 358.302
InChI：
InChI=1S/C18H14O8/c19-10-4-2-9(7-12(10)21)16-15(18(24)25)14-8(3-6-13(22)23)1-5-11(20)17(14)26-16/h1-7,15-16,19-21H,(H,22,23)(H,24,25)/b6-3-/t15-,16-/m1/s1
InChI key：
GJHXGOBGPWPCCK-MCIOBPLBSA-N
SMILES：
OC(=O)/C=C\c1ccc(O)c2O[C@@H]([C@H](C(=O)O)c12)c1ccc(O)c(O)c1
Systematic name (4)：
- (2S)-2α-(3,4-ジヒドロキシフェニル)-4-[(Z)-2-カルボキシエテニル]-7-ヒドロキシ-2,3-ジヒドロベンゾフラン-3α-カルボン酸
- (αZ)-2α-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-3α-カルボキシ-2,3-ジヒドロベンゾフラン-4-アクリル酸
- (2S,3R)-4-[(1Z)-2-カルボキシエタ-1-エン-1-イル]-2-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-2,3-ジヒドロ-1-ベンゾフラン-3-カルボン酸
- (2S,3R)-4-[(1Z)-2-carboxyeth-1-en-1-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid
- (2S)-2α-(3,4-Dihydroxyphenyl)-4-[(Z)-2-carboxyethenyl]-7-hydroxy-2,3-dihydrobenzofuran-3α-carboxylic acid
- cis-ブレクニン酸
- cis-Blechnic acid
- (αZ)-2α-(3,4-Dihydroxyphenyl)-7-hydroxy-3α-carboxy-2,3-dihydrobenzofuran-4-acrylic acid
- (-)-cis-ブレクン酸
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