
 OpenBabel04291915443D

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.9427    0.0760   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2567    0.0760   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9787   -1.0834    0.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217   -2.1385    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9157   -2.1385    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2353   -2.1385    0.8644 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4607   -1.0834    0.4380 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9674    0.0459    1.3201 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2017    1.2659   -0.5115 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1944    1.0254   -0.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4940    1.2872    0.8185 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -2.3247    0.9396 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540   -2.3247    0.9396 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8607   -3.6534    1.4766 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3540   -4.7827    0.5944 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8607   -6.1114    1.1314 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3540   -7.2408    0.2492 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8274   -1.2696    1.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8340   -7.2407    0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607   -8.2958   -0.5749 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2807   -6.1114    1.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -4.7827    0.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2807   -3.6534    1.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4267   -0.7526    0.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    0.9046   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377   -2.9671    1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8174   -0.9431   -0.5610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -0.1426    1.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1060    2.1386   -1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3474    0.2030    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7354    1.1317    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7107   -2.1844   -0.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5040   -3.7936    2.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7107   -4.6424   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5040   -6.2517    2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716   -8.1609   -0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4774   -6.3054   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4774   -7.3810    1.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6840   -8.1686   -1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6040   -5.9842    0.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107   -4.9099    1.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6040   -3.5262    0.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  7  1  0  0  0  0
  3  4  2  3  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  3  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 14 23  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
>  <SKU>
A14769

>  <Product Name>
Lithospermoside

>  <CAS>
63492-69-3

>  <M.Wt>
329.30256

>  <Formula>
C14H19NO8

>  <Synonyms>
Griffonin, NSC 290807

>  <URL>
https://www.adooq.com/lithospermoside.html

$$$$
