HMDB0296950 RDKit 3D DG(20:4(6E,8Z,11Z,14Z)+=O(5)/0:0/2:0) 69 68 0 0 0 0 0 0 0 0999 V2000 -9.7798 0.6838 3.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6303 -0.1964 2.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2191 0.2190 1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0702 -0.6295 0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6524 -0.2254 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2376 1.1545 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0426 1.5257 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 0.6130 -1.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8313 0.7618 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3304 -0.1876 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 -1.5287 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0828 -2.6878 -0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 -2.7411 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 -1.5906 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 -1.7557 -1.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 -0.5844 -1.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1179 -0.8488 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 0.7713 -1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5829 1.8173 -1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 1.8401 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 0.7290 -0.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 -0.1389 0.2293 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 0.5430 -1.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -0.4962 -1.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4648 -0.4993 -0.2644 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3654 -1.5392 -0.3561 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0549 0.8428 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7808 0.9510 1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9171 0.3060 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5899 0.5185 2.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4441 -0.5078 0.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0129 0.5230 4.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5655 1.7730 2.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7070 0.4592 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8131 -0.1020 3.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0473 -1.2372 2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8586 1.2670 1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0650 0.1256 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4205 -1.6792 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2234 -0.5594 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6142 -0.3342 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0058 -0.9966 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0113 1.8916 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7944 2.6014 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 -0.3925 -1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5795 1.0752 -2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 1.7591 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 0.1331 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 -1.5282 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 -1.7188 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -3.7181 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 -3.7661 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -0.5616 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5036 -2.7306 -1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 0.9600 -2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 0.8450 -0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 1.7501 -2.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0802 2.8352 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 2.0064 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 2.8092 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2406 -1.5047 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 -0.3206 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7505 -0.7908 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8904 -2.3945 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2255 1.5873 -0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6582 1.1011 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2558 -0.2577 3.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3230 1.5379 3.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6843 0.4332 2.6649 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 2 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 18 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 24 61 1 0 24 62 1 0 25 63 1 1 26 64 1 0 27 65 1 0 27 66 1 0 30 67 1 0 30 68 1 0 30 69 1 0 M END