HMDB0299132 RDKit 3D DG(20:3(6,8,11)-OH(5)/0:0/i-15:0) 112111 0 0 0 0 0 0 0 0999 V2000 15.1120 2.0556 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5224 0.7088 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6748 0.1862 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0872 -1.1619 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2784 -1.6531 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1692 -0.7023 1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3104 -1.1688 2.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6869 -2.5063 2.5113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8018 -2.4795 1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0170 -3.2377 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1133 -3.1869 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 -2.2338 -0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 -1.1885 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6398 -0.3069 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 0.7334 -1.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2017 1.6766 -1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 1.8280 -0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9774 1.1142 -2.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 -0.2267 -1.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1329 -0.2536 -0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9095 0.6076 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 1.0360 -1.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4569 0.8874 1.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6929 1.6659 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8753 0.8497 0.6562 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8557 -0.3193 1.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 1.6318 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2488 0.8991 0.3132 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -0.1912 0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2135 -0.6218 2.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9073 -0.9303 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5476 -0.2349 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0727 1.1342 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7218 1.6734 -1.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2889 3.0422 -1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3194 3.1415 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4790 2.1759 -0.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4662 2.3343 0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6884 1.5022 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5969 0.0526 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8032 -0.8028 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9545 -2.2935 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3641 -2.7661 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3995 -2.4932 1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0763 2.1449 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4446 2.8555 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2473 2.1964 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8925 0.7842 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3289 -0.0386 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2297 0.1592 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8815 0.9806 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4450 -1.0990 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9505 -1.8474 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9989 -1.7470 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8599 -2.6467 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5989 -0.4839 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6250 0.2618 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8854 -1.1626 3.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -0.4347 2.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0426 -2.7537 3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4286 -3.3063 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 -1.8184 1.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8623 -3.9065 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6817 -2.9733 -1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -4.1960 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -2.3895 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4218 -1.0028 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 -0.5292 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9871 0.9121 -2.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4491 2.6928 -2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 2.6671 0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1578 1.8634 -2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 0.9286 -3.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7515 -0.6643 -2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4255 -0.9232 -2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 -1.3264 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8793 -0.0290 0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 1.9031 2.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 2.5845 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 0.6042 -0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9401 -0.6247 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9898 2.5374 0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 2.0001 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6407 -1.1489 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5502 -1.9310 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7643 -0.1224 -1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 -0.8845 -1.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8629 1.0418 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3103 1.8461 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8933 1.7601 -2.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4337 0.9435 -2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4814 3.7551 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7787 3.3597 -2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7631 4.1484 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9345 2.9622 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9336 2.5831 -1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1001 1.1931 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9126 2.2445 1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8109 3.4185 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2332 1.7716 -0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4152 1.8833 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2290 -0.0905 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6273 -0.4309 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8887 -0.6604 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7069 -0.6376 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2956 -2.8494 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8216 -2.7220 0.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0140 -2.2173 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3738 -3.8365 -0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1815 -2.4151 2.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6729 -1.6730 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8188 -3.4415 1.4875 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 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 1 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 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 27 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 44112 1 0 M END