HMDB0256534 RDKit 3D Picosulfuric acid 44 46 0 0 0 0 0 0 0 0999 V2000 -6.4170 2.9847 0.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2983 2.4345 -0.2412 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.6547 2.4954 -1.6993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9129 3.3649 0.0826 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9244 0.8442 0.2443 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 0.3313 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6633 0.4895 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -0.0341 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 -0.7082 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -1.2832 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 -0.3408 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 0.6016 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7435 1.4780 -1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4633 1.4501 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5019 2.3179 0.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1189 3.8212 0.8175 S 0 0 0 0 0 6 0 0 0 0 0 0 5.2667 4.7281 0.5805 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7940 3.6261 2.2636 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7173 4.4132 0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 0.5278 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 -0.3556 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -2.6313 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 -2.9490 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4267 -4.2446 1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 -5.1626 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1671 -4.8392 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9112 -3.5871 -1.1048 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -0.8513 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 -0.3373 -1.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1264 4.3309 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8608 1.0206 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6324 0.1068 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1853 -1.4293 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 0.6239 -2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 2.2009 -2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 5.3898 -0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6603 0.4719 1.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 -1.0696 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -2.1867 1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -4.4441 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -6.1644 0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -5.6003 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 -1.3756 -2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1923 -0.4591 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 14 20 1 0 20 21 2 0 10 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 9 28 1 0 28 29 2 0 29 6 1 0 21 11 1 0 27 22 1 0 4 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 12 34 1 0 13 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 23 39 1 0 24 40 1 0 25 41 1 0 26 42 1 0 28 43 1 0 29 44 1 0 M END