小分子和化合物库

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显示第112个,产品总数68

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  1. 马兜铃酸 A
    CAS号 : 313-67-7        Compound CID : 2236
    分子式: C17H11NO7        分子量: 341.27
    IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
    InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N
    InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
  2. NNC 63-0532,非肽NOP激动剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 250685-44-0        Compound CID : 9803475
    分子式: C27H29N3O3        分子量: 443.54
    IUPAC Name: methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
    SMILES: COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5
    InChIKey: AQMPIDSGLFVVPL-UHFFFAOYSA-N
    InChI: InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3
  3. 马兜铃酸 A
    CAS号 : 313-67-7        Compound CID : 2236
    分子式: C17H11NO7        分子量: 341.27
    IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
    InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N
    InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
  4. 马兜铃酸 A
    CAS号 : 313-67-7        Compound CID : 2236
    分子式: C17H11NO7        分子量: 341.27
    IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
    SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
    InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N
    InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
  5. 川皮苷
    CAS号 : 478-01-3        Compound CID : 72344
    分子式: C21H22O8        分子量: 402.39
    IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
    SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
    InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N
    InChI: InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
  6. 川皮苷
    CAS号 : 478-01-3        Compound CID : 72344
    分子式: C21H22O8        分子量: 402.39
    IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
    SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
    InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N
    InChI: InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
  7. 小白菊内酯
    CAS号 : 20554-84-1        Compound CID : 7251185
    分子式: C15H20O3        分子量: 248.32
    IUPAC Name: (1S,2R,4R,7E,11S)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
    SMILES: CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C
    InChIKey: KTEXNACQROZXEV-PVLRGYAZSA-N
    InChI: InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1
  8. 根皮素
    CAS号 : 60-82-2        Compound CID : 4788
    分子式: C15H14O5        分子量: 274.27
    IUPAC Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
    SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
    InChIKey: VGEREEWJJVICBM-UHFFFAOYSA-N
    InChI: InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
  9. 奎宁
    CAS号 : 130-95-0       
    分子式: C20H24N2O2        分子量: 324.42
    IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
    SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
    InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N
    InChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
  10. 白藜芦醇
    CAS号 : 501-36-0        Compound CID : 445154
    分子式: C14H12O3        分子量: 228.24
    IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
    InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
    InChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
  11. 水飞蓟宾
    CAS号 : 22888-70-6        Compound CID : 31553
    分子式: C25H22O10        分子量: 482.44
    IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
    SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
    InChIKey: SEBFKMXJBCUCAI-HKTJVKLFSA-N
    InChI: InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1
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