HMDB0242140 RDKit 3D Acetaminophen mercapturate 37 37 0 0 0 0 0 0 0 0999 V2000 6.4001 1.3766 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2279 0.7003 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 0.8907 -1.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 -0.0179 0.8445 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 -0.6554 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 -1.9815 -0.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 -2.5878 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 -1.8464 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -2.4929 -1.5209 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0115 -0.5457 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 0.4245 -0.7347 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 0.1873 0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9706 -0.1947 0.2805 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5361 0.8652 -0.5238 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7712 1.0787 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 2.2724 -1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8465 0.3619 -0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7096 -0.2174 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 0.7704 1.8762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 -1.2927 2.4470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.0378 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3296 0.9594 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 1.3098 1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3613 2.4404 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 0.6542 -1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 -2.5509 -0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -3.6063 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8731 -2.0108 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2059 -0.6689 1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 1.0648 1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0487 -1.1446 -0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 2.8924 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 2.9473 -1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3957 1.9457 -2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2447 -0.4703 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3621 -1.9645 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 1.0692 0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 15 16 1 0 15 17 1 0 13 18 1 0 18 19 2 0 18 20 1 0 10 21 2 0 21 5 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 12 29 1 0 12 30 1 0 13 31 1 6 16 32 1 0 16 33 1 0 16 34 1 0 17 35 1 0 20 36 1 0 21 37 1 0 M END