Chem
J-GLOBAL ID：200907037880947819   Nikkaji number：J710.347F

3-O-Methylellagic acid

3-O-メチルエラグ酸
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： C15H8O8
Molecular formula furigana： C15-H8-O8
Molecular weight： 316.221
InChI： InChI=1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3
InChI key： FAARLWTXUUQFSN-UHFFFAOYSA-N
SMILES： COc1c(O)cc2c3c1oc(=O)c1cc(O)c(O)c(oc2=O)c31
Systematic name  (3)：
  • 2,7,8-トリヒドロキシ-3-メトキシ[1]ベンゾピラノ[5,4,3-cde][1]ベンゾピラン-5,10-ジオン
  • 6,7,13-トリヒドロキシ-14-メトキシ-2,9-ジオキサテトラシクロ[6.6.2.04,16.011,15]ヘキサデカ-1(15),4,6,8(16),11,13-ヘキサエン-3,10-ジオン
  • 6,7,13-trihydroxy-14-methoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Other name (3)：
  • 3-O-メチルエラグ酸
  • 3-O-Methylellagic acid
  • 2,7,8-Trihydroxy-3-methoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
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