Chem
J-GLOBAL ID：200907028201789402   Nikkaji number：J1.185.719A

(-)-Mitorubrinic acid

(-)-ミトルブリン酸
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： C21H16O9
Molecular formula furigana： C21-H16-O9
Molecular weight： 412.350
InChI： InChI=1S/C21H16O9/c1-10-5-12(22)8-15(23)18(10)20(28)30-21(2)16(24)7-11-6-13(3-4-17(25)26)29-9-14(11)19(21)27/h3-9,22-23H,1-2H3,(H,25,26)/b4-3+/t21-/m1/s1
InChI key： ZJIWQCFXEQSFGR-YEFOHOTDSA-N
SMILES： Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(OC=C2C1=O)/C=C/C(=O)O
Systematic name  (3)：
  • (E)-3-[(R)-7,8-ジヒドロ-6,8-ジオキソ-7-メチル-7β-(2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-6H-2-ベンゾピラン-3-イル]プロペン酸
  • (2E)-3-[(7R)-7-(2,4-ジヒドロキシ-6-メチルベンゾイルオキシ)-7-メチル-6,8-ジオキソ-7,8-ジヒドロ-6H-イソクロメン-3-イル]プロパ-2-エン酸
  • (2E)-3-[(7R)-7-(2,4-dihydroxy-6-methylbenzoyloxy)-7-methyl-6,8-dioxo-7,8-dihydro-6H-isochromen-3-yl]prop-2-enoic acid
Other name (3)：
  • (E)-3-[(R)-7,8-Dihydro-6,8-dioxo-7-methyl-7β-(2,4-dihydroxy-6-methylbenzoyloxy)-6H-2-benzopyran-3-yl]propenoic acid
  • (-)-ミトルブリン酸
  • (-)-Mitorubrinic acid
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