HMDB0012789 RDKit 3D 4-Oxo-13-cis-retinoate 49 49 0 0 0 0 0 0 0 0999 V2000 -3.8805 -1.3953 1.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0128 -0.0500 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9523 0.4679 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 -0.3253 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 0.0137 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 -0.7905 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -2.1330 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -0.3410 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9463 -1.1157 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0463 -0.6475 -1.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -1.4652 -1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -2.8260 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3315 -1.0784 -1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4691 0.1766 -2.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 1.0912 -2.6531 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7358 0.4616 -3.0836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 1.7842 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6738 1.6998 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 2.6925 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3038 2.4421 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 3.1802 -0.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0333 2.1643 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3085 0.6523 1.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 -1.4263 2.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -2.1671 1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -1.6774 2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -1.3169 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 0.9728 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -2.0441 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.4431 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 -2.8854 -0.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 0.6354 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9732 -2.0800 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 0.3275 -1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0635 -3.3745 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2264 -2.7266 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 -3.3928 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2048 -1.7592 -1.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4544 0.8823 -2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5814 2.0659 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8774 2.4070 -1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4048 0.7001 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 2.1503 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4815 3.4915 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3213 3.1718 -0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9881 2.6846 1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 2.3539 2.3544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0096 0.4258 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7517 0.3657 2.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 3 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 2 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 5 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 12 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 M END