HMDB0015168 RDKit 3D Cerulenin 33 33 0 0 0 0 0 0 0 0999 V2000 5.9316 1.7638 0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 1.4728 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5866 1.1392 0.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 0.8473 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 -0.5161 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6383 -0.7228 0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 -2.1016 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -2.3111 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -1.3630 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -0.6229 1.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -1.3522 -0.2184 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5486 -1.4207 0.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -0.3672 -0.0553 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3074 1.0124 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1527 2.0469 -0.2165 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4339 1.3572 1.1827 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3066 2.7822 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 1.7233 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6745 0.9730 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 1.5322 -1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 1.0805 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4039 0.9400 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5069 1.5746 -0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -1.3648 -0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 0.1458 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -2.1861 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8685 -2.8684 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 -2.0591 -1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 -3.3589 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6539 -2.1229 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -0.4772 -0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8024 3.0340 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0889 1.7901 -0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 13 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 6 13 31 1 6 15 32 1 0 15 33 1 0 M END