
 OpenBabel04291915443D

 55 57  0  0  1  0  0  0  0  0999 V2000
    0.9672    0.0656   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772    0.0656   -0.0679 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3679    1.2266   -1.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5701    1.8749   -1.9403 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6942    1.3979   -1.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1565    2.3065   -2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6385    2.3065   -2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2955    3.0973   -3.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    3.0973   -3.2053 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2842    1.7069   -3.5525 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5955    2.5679    0.9211 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9114    2.8837   -0.3990 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7088    2.4508   -1.4481 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0347    1.1461   -1.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7902    0.7360   -2.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1390   -0.6606   -2.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8448   -1.0437   -3.5894 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6894   -1.5444   -1.7462 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7102    4.2854   -0.5045 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8938    4.7285    0.5696 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6785    6.2290    0.4567 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9944    6.5447   -0.8635 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7790    8.0451   -0.9764 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0949    8.3609   -2.2965 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5329    4.4336    1.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    7.8865   -3.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297    8.1815   -4.6794 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    8.4883    0.0977 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    6.1016   -1.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621    6.6721    1.5307 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2508    4.0276   -4.1681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -0.6354    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105   -0.2121   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    1.0444    0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998    3.2853   -2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7998    2.0288   -3.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7795    3.7184   -3.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1342    3.3751   -2.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7925    1.4880   -4.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7420    2.5854    1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9663    2.3837   -0.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6907    0.4700   -0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157   -2.4507   -1.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    4.2285    0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6236    6.7290    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0493    6.0447   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7241    8.5452   -0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3308    8.9828   -2.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204    6.8303   -3.3667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    8.3866   -3.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4729    7.7282   -4.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1059    8.0350    0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6675    6.5549   -1.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0053    6.2188    1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9275    3.7758   -5.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  9 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 44  1  0  0  0  0
 21 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 29  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 28  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
M  END
>  <SKU>
A14674

>  <Product Name>
paederosidic acid

>  <CAS>
18842-98-3

>  <M.Wt>
464.44096

>  <Formula>
C18H24O12S

>  <Synonyms>
N/A

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

$$$$
