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HIT218852563
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HIT218852563
  • HIT ID:HIT218852563
  • Cas No:168010-10-4
  • 常用名:Foeniculoside I
  • IUPAC:2-(3-hydroxy-5-{6-hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    IUPAC:2-(3-hydroxy-5-{6-hydroxy-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
  • InChI key:SZKVNSODIJRAET-UHFFFAOYSA-N
  • 分子式:C48H42O14
  • 分子量:842.85
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:OCC1OC(Oc2cc(O)cc(c2)C2C(Oc3cc(O)cc(C4C(Oc5cc(O)cc(C=Cc6ccc(O)cc6)c45)c4ccc(O)cc4)c23)c2ccc(O)cc2)C(O)C(O)C1O
    SMILES:OCC1OC(Oc2cc(O)cc(c2)C2C(Oc3cc(O)cc(C4C(Oc5cc(O)cc(C=Cc6ccc(O)cc6)c45)c4ccc(O)cc4)c23)c2ccc(O)cc2)C(O)C(O)C1O
  • Foeniculoside I 属于酚类化合物。
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    TargetMolSC
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