
 OpenBabel04291915443D

 52 53  0  0  1  0  0  0  0  0999 V2000
   -3.4338    6.9343   12.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6434    8.2566   12.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743    8.9283   11.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    8.2778   10.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0265    8.9495    9.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9029    6.2625   13.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775    4.8407   13.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1365    4.1834   14.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110    2.7616   14.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2906    2.1669   13.8155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3823    2.0868   15.7609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1657    0.7211   15.8695 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6711    0.4452   15.8908 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4398   -1.0140   16.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193   -1.6087   15.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9110   -1.6888   17.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980    0.9124   14.7173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715    0.7755   14.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717    0.2375   15.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    1.2618   13.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172    1.1285   13.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7139    1.6149   11.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0344    1.4786   11.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893    1.9309   10.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238    2.5195    9.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3787    2.9718    8.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9484    2.2034   10.9382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973    2.6564    9.8029 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0321    1.4776   11.6741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7781    0.2220   17.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3631    0.9989   17.8724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6927   -1.0862   17.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850    6.9495   10.3385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6465    8.2533   12.2601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9122    6.4344   11.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650    8.7565   12.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    9.4657    8.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1559    4.3408   12.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6581    4.6833   15.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6087    0.2222   15.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    0.9442   16.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7647   -2.6114   17.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632    1.7141   12.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7056    0.6762   13.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227    1.0263   12.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9528    3.2612    7.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0678    2.3833   10.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    2.3408   10.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    1.0669   12.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0799   -1.4018   18.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6123    6.4808   11.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1201    8.7072   12.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  3 34  1  0  0  0  0
  3  4  2  0  0  0  0
  4 33  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  3  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  9 11  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  3  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 32  1  0  0  0  0
 30 31  2  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
 34 52  1  0  0  0  0
M  END
>  <SKU>
A14733

>  <Product Name>
Cichoric Acid

>  <CAS>
6537-80-0

>  <M.Wt>
474.37112

>  <Formula>
C22H18O12

>  <Synonyms>
2R,3R-O-dicaffeoyltartaric acid

>  <URL>
https://www.adooq.com/cichoric-acid.html

$$$$
