
 MLS000882561

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    1.5564    2.4316   -1.1519 C   0  0  0  0  0
    1.6810    3.2364   -0.0225 C   0  0  0  0  0
    2.8479    3.9791    0.1872 C   0  0  0  0  0
    3.9168    3.9182   -0.7186 C   0  0  0  0  0
    3.7654    3.1252   -1.8667 C   0  0  0  0  0
    2.5909    2.4015   -2.0857 C   0  0  0  0  0
    5.2306    4.6548   -0.4914 C   0  0  0  0  0
    6.2883    3.7913    0.2018 C   0  0  0  0  0
    6.2686    3.9202    1.7323 C   0  0  0  0  0
    6.4033    5.2907    2.1385 O   0  0  0  0  0
    5.6867    6.2245    1.4414 C   0  0  0  0  0
    5.1088    5.9946    0.1928 C   0  0  0  0  0
    4.4263    7.0445   -0.4401 C   0  0  0  0  0
    4.3240    8.2945    0.1733 C   0  0  0  0  0
    4.9026    8.5196    1.4214 C   0  0  0  0  0
    5.5910    7.4827    2.0494 C   0  0  0  0  0
    4.7294    9.7850    1.9094 O   0  0  0  0  0
    5.2593   10.0537    3.2015 C   0  0  0  0  0
    5.1523    3.2103    2.4957 C   0  0  0  0  0
    4.6166    3.7617    3.6761 C   0  0  0  0  0
    3.6060    3.1117    4.3909 C   0  0  0  0  0
    3.1167    1.8878    3.9476 C   0  0  0  0  0
    3.6503    1.3047    2.8031 C   0  0  0  0  0
    4.6684    1.9517    2.0932 C   0  0  0  0  0
    7.4589    3.2671    2.1995 O   0  0  0  0  0
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    4.5638    3.0608   -2.6036 H   0  0  0  0  0
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    5.0168   11.0905    3.4530 H   0  0  0  0  0
    6.3497    9.9556    3.2077 H   0  0  0  0  0
    4.7992    9.4108    3.9591 H   0  0  0  0  0
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    3.2101    3.5608    5.2978 H   0  0  0  0  0
    2.3318    1.3812    4.5024 H   0  0  0  0  0
    3.2819    0.3424    2.4591 H   0  0  0  0  0
    5.0742    1.4543    1.2164 H   0  0  0  0  0
    8.1662    3.9029    2.0062 H   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000882561

>  <PubChem CID>
16746513

>  <Formula>
C23H22O4

>  <Molecular Weight>
362.425000

>  <IUPAC Name>
7-methoxy-4-(4-methoxyphenyl)-2-phenyl-3,4-dihydrochromen-2-ol

>  <XlogP>
4.400

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2CC(OC3=C2C=CC(=C3)OC)(C4=CC=CC=C4)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2CC(OC3=C2C=CC(=C3)OC)(C4=CC=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C23H22O4/c1-25-18-10-8-16(9-11-18)21-15-23(24,17-6-4-3-5-7-17)27-22-14-19(26-2)12-13-20(21)22/h3-14,21,24H,15H2,1-2H3

>  <InChI Key>
AAJXZKMGUIMSEV-UHFFFAOYSA-N

