HMDB0038999 RDKit 3D 6-Gingesulfonic acid 50 50 0 0 0 0 0 0 0 0999 V2000 -4.7154 0.2156 1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 0.7783 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9562 0.6666 -0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6486 1.2801 -1.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 0.7502 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -0.5671 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -0.8250 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 0.1753 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5013 1.1700 0.2672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3927 -0.0288 -1.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3784 -1.0824 -1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1565 -0.7994 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -1.1861 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 -0.9303 2.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6319 -0.2797 2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3679 -0.0232 3.4984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1404 0.1279 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3568 0.7687 1.1137 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8861 1.1903 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 -0.1543 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 -1.9829 -1.2295 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.5648 -2.0886 -2.5785 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 -3.1537 -1.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7812 -2.4793 0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 0.9336 2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7715 -0.2666 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3585 -0.6025 2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 1.8622 0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5021 0.3156 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 -0.4223 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7853 1.1593 -1.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7127 2.4241 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 1.2037 -2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2619 1.0045 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 1.5216 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3797 -0.4181 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8763 -0.8259 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -1.8731 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 -0.4311 -2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8843 0.8728 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1395 -1.1992 -1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8931 -2.0762 -1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7162 -1.6949 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9969 -1.2610 3.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0033 -0.3196 4.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 2.1007 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9217 1.5376 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 0.4501 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7733 0.1679 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8568 -3.4377 0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 17 20 2 0 6 21 1 0 21 22 2 0 21 23 2 0 21 24 1 0 20 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 13 43 1 0 14 44 1 0 16 45 1 0 19 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 24 50 1 0 M END