HMDB0015269 RDKit 3D Sulfinpyrazone 49 52 0 0 0 0 0 0 0 0999 V2000 0.4231 1.4235 0.8146 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 0.3484 0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 -1.0021 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5034 -1.3395 0.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6712 -0.4270 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.9647 -0.7754 S 0 0 0 0 0 4 0 0 0 0 0 0 4.4138 -2.3976 -0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4220 0.0723 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 1.2380 -1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 2.0403 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6578 1.7102 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5269 0.5265 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4057 -0.2840 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8111 -1.8494 0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 -3.0981 0.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 -1.0512 0.3943 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 -1.6096 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6993 -2.6769 0.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9480 -3.2665 0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7908 -2.7837 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3575 -1.7103 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1133 -1.1371 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6119 0.2677 0.5311 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5295 1.3546 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 2.1977 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 3.2844 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 3.5333 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3946 2.7031 1.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5464 1.6273 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 -1.1343 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 -1.2939 -0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8073 -2.3819 0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0279 -0.4267 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 0.5944 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 1.5457 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7669 2.9685 -1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5245 2.3313 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2514 0.1783 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3103 -1.1883 0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0953 -3.1165 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2595 -4.1043 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7811 -3.2282 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0329 -1.3381 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8377 -0.3002 -1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5842 2.0105 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0738 3.9372 -1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8801 4.3907 -0.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 2.8561 1.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 0.9699 2.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 3 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 16 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 23 2 1 0 29 24 1 0 13 8 1 0 22 17 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 25 45 1 0 26 46 1 0 27 47 1 0 28 48 1 0 29 49 1 0 M END