HMDB0240535 RDKit 3D Iberin-N-acetyl-cysteine 37 36 0 0 0 0 0 0 0 0999 V2000 3.1285 -0.0539 -1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -0.8084 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1986 -1.5708 -0.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0903 -0.7703 0.4613 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 -1.5271 1.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -1.4333 2.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4563 0.2085 3.0603 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1009 1.1947 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 2.8632 1.9720 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1118 0.7145 0.5327 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 1.2850 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 1.6158 -0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 0.3007 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5055 0.6764 -0.6134 S 0 0 0 0 0 4 0 0 0 0 0 0 -4.9189 1.3648 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7100 1.8222 0.4055 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -2.9707 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -3.3046 0.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -3.9407 2.2816 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 0.1596 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -0.6413 -2.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6579 0.9373 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -1.1917 0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 -1.2416 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0237 -1.8913 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 -2.1006 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0383 3.8008 1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 0.6920 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0246 2.2768 -0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 2.0459 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1917 2.3363 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 -0.4216 -1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 -0.0677 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7808 0.8026 -2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 1.2484 -2.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 2.4234 -2.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 -4.8330 2.0410 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 5 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 15 36 1 0 19 37 1 0 M END