HMDB0060943 RDKit 3D Sulfinpyrazone sulfide 48 51 0 0 0 0 0 0 0 0999 V2000 0.8871 -0.9763 -1.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 -0.0682 -1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4052 1.3718 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 1.8725 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 1.0660 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 1.2610 -1.0119 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 0.2779 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 0.8064 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1217 0.0808 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2206 -1.2458 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1511 -1.7755 -0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0169 -1.0580 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 1.9967 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 3.1489 -1.6658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8522 1.0434 -0.6844 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 1.3732 -0.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6426 1.2055 0.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9443 1.5385 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 2.0302 0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3184 2.2098 -1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0134 1.8718 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2805 -0.2170 -0.5656 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8453 -1.4165 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.7330 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 -2.9041 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 -3.8123 0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 -3.5140 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 -2.3276 0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9807 1.6206 -2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 1.7818 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3239 2.9352 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0582 -0.0239 0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 1.3487 1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9183 1.8557 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9629 0.5253 0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1194 -1.7903 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2073 -2.8011 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -1.4707 -1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9804 0.8073 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2935 1.4042 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7912 2.2959 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9326 2.5964 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6621 2.0130 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7101 -1.0052 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7631 -3.1238 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4869 -4.7280 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1194 -4.2250 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 -2.1222 0.9064 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 3 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 15 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 22 2 1 0 28 23 1 0 12 7 1 0 21 16 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 12 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 24 44 1 0 25 45 1 0 26 46 1 0 27 47 1 0 28 48 1 0 M END