Reference Materials

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  1. Fisetin
    Cas#: 528-48-3        Compound CID:  5281614
    Formula:  C15H10O6        Molecular Weight: 286.24
    IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
    SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
    InChIKey: XHEFDIBZLJXQHF-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
    Synonyms: 3,4',7-Tetrahydroxyflavone | 7,3',4'-Trihydroxyflavonol | HY-N0182 | MFCD00006829 | NCGC00095663-01 | 5-Deoxyquerceti...
  2. Cimaterol, Agonist of β 1-adrenoceptor;Agonist of β 2-adrenoceptor
    Cas#: 54239-37-1        Compound CID:  2755
    Formula:  C12H17N3O        Molecular Weight: 219.28
    IUPAC Name: 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
    SMILES: CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
    InChIKey: BUXRLJCGHZZYNE-UHFFFAOYSA-N
    InChI: InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
    Synonyms: cimaterol|54239-37-1|Cimater|Cimaterolum|AB-A 663|AC 263,780|2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitr...
  3. Baicalein
    Cas#: 491-67-8        Compound CID:  5281605
    Formula:  C15H10O5        Molecular Weight: 270.24
    IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one
    SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O
    InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
    Synonyms: SpecPlus_000758 | Spectrum5_001418 | W-202870 | baicalein | BAICALEIN [WHO-DD] | MFCD00017459 | SDCCGMLS-0066744.P001...
  4. Quercetin
    Cas#: 117-39-5        Compound CID:  5280343
    Formula:  C15H10O7        Molecular Weight: 302.24
    IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
    SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
    InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N
    InChI: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
    Synonyms: 4mra | CHEBI:16243 | NCI-C60106 | QUERCETIN (USP-RS) | Quer | Spectrum3_000642 | Quercetin_sathishkumar | Korvitin | ...
  5. n-Octanol
    Cas#: 111-87-5       
    Formula:  C8H18O        Molecular Weight: 130.23
    IUPAC Name: octan-1-ol
    SMILES: CCCCCCCCO
    InChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-N
    InChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
    Synonyms: AI3-02169 | O0212 | OCTYL ALCOHOL [FCC] | Alcohol C8 | Alcohol C-8 | CS-0076037 | Dytol M-83 | Heptyl carbinol | 1-OC...
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