HMDB0240219 RDKit 3D cis-Vaccenic acid 54 53 0 0 0 0 0 0 0 0999 V2000 4.6293 1.7860 -1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 0.2921 -1.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -0.0800 -1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8899 -1.5205 -0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -2.1601 0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 -1.7176 1.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3885 -0.3210 1.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4709 0.5299 2.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0549 0.2006 2.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 1.0111 1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 0.7242 1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 -0.6606 1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 -1.1701 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 -0.3516 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -0.3397 -0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 0.5010 -1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7427 0.5502 -1.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1463 1.1333 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2189 0.4106 0.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4491 2.5005 -0.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7163 2.3162 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5454 2.1871 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 2.0077 -2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9303 -0.2611 -2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1570 -0.0156 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 0.1377 -2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.6372 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 -1.6985 -0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 -2.0543 -1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 -3.2889 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6252 -2.1094 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 -2.3569 2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 -2.0891 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 -0.0105 1.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 1.5669 2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 -0.8370 2.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7946 0.6100 3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 0.9234 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 2.0776 1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 1.3943 0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 1.0346 2.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8334 -0.6889 1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -1.4148 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9544 -2.1911 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -1.2938 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 0.6786 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 -0.8400 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 -1.3556 -0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 0.1391 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 1.5676 -1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8947 0.0821 -2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1127 1.2147 -2.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2072 -0.4382 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9378 3.0506 0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 20 54 1 0 M END