Chem
J-GLOBAL ID：200907050551736684
Nikkaji number：J2.098.637I
Morindolin
モリンドリン
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： C18H16O7
Molecular formula furigana： C18-H16-O7
Molecular weight： 344.319
InChI：
InChI=1S/C18H16O7/c19-8-12-11-4-1-9(3-6-15(22)23)16(24)18(11)25-17(12)10-2-5-13(20)14(21)7-10/h1-7,12,17,19-21,24H,8H2,(H,22,23)/b6-3+/t12-,17+/m0/s1
InChI key：
YKTBVIUWUXNQMZ-FKUULJIBSA-N
SMILES：
OC[C@@H]1[C@H](Oc2c1ccc(/C=C/C(=O)O)c2O)c1ccc(O)c(O)c1
Systematic name (3)：
- (αE,2S)-2α-(3,4-ジヒドロキシフェニル)-3β-(ヒドロキシメチル)-7-ヒドロキシ-2,3-ジヒドロベンゾフラン-6-アクリル酸
- (2E)-3-[(2S,3R)-2-(3,4-ジヒドロキシフェニル)-7-ヒドロキシ-3-(ヒドロキシメチル)-2,3-ジヒドロ-1-ベンゾフラン-6-イル]プロパ-2-エン酸
- (2E)-3-[(2S,3R)-2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-6-yl]prop-2-enoic acid
- (αE,2S)-2α-(3,4-Dihydroxyphenyl)-3β-(hydroxymethyl)-7-hydroxy-2,3-dihydrobenzofuran-6-acrylic acid
- モリンドリン
- Morindolin
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