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  3. HIT214320447
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HIT214320447
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HIT214320447
  • HIT ID:HIT214320447
  • Cas No:151990-70-4
  • 常用名:Zaragozic acid E
  • IUPAC:4,7-dihydroxy-1-(5-methyl-8-phenyloct-3-en-1-yl)-6-[(6-methyl-9-phenylnon-4-enoyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
    IUPAC:4,7-dihydroxy-1-(5-methyl-8-phenyloct-3-en-1-yl)-6-[(6-methyl-9-phenylnon-4-enoyl)oxy]-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • InChI key:HPNWHOBVFZEFCZ-UHFFFAOYSA-N
  • 分子式:C40H50O12
  • 分子量:722.828
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(CCCc1ccccc1)C=CCCC(=O)OC1C(O)C2(CCC=CC(C)CCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O |w:12.13,24.24,TLB:46:44:37:18.19,20:19:37:44.45.42,THB:17:18:37:44.45.42,43:42:37:18.19,49:42:37:18.19|
    SMILES:CC(CCCc1ccccc1)C=CCCC(=O)OC1C(O)C2(CCC=CC(C)CCCc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O |w:12.13,24.24,TLB:46:44:37:18.19,20:19:37:44.45.42,THB:17:18:37:44.45.42,43:42:37:18.19,49:42:37:18.19|
  • Zaragozic acid E is a fungal metabolite.
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