HMDB0040459 RDKit 3D Ethylene brassylate 45 45 0 0 0 0 0 0 0 0999 V2000 -4.5794 1.0670 1.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4796 1.3039 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 0.9626 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5176 -0.2375 -1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -1.0833 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 -2.3827 -0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 -2.8442 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -2.8722 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 -1.4563 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 -1.3656 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 -0.5805 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 0.7353 0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.5247 -0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 2.8501 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 3.7239 0.2831 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6654 3.1948 0.2748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 2.3323 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 2.8176 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 1.8502 1.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 0.7472 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 1.8824 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 0.1282 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9456 -0.8972 -1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1939 -1.2516 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5267 -0.5892 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4374 -3.1672 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 -2.3339 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 -2.0879 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 -3.8128 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -3.3260 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 -3.4538 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 -1.1564 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -0.7828 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9574 -0.9022 -1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1626 -2.3867 -0.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6101 -1.1782 1.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -0.4358 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7164 1.3470 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 0.6613 1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 1.0636 -0.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 1.6955 -1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 2.4628 -1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 1.2983 0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 3.7243 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 3.2115 1.8923 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 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 2 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 M END