HMDB0007582 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 13.6733 -1.6670 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5666 -2.0195 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8542 -1.3537 -1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4553 -0.4822 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0404 0.1011 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8219 -0.3298 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7851 0.4547 1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7203 1.9015 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5776 2.0289 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 2.8305 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4252 3.6956 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3766 3.6090 1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3938 2.7719 2.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0782 1.6295 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1016 0.3603 2.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 -0.3261 2.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7089 0.0222 1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -1.0221 0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 -0.4578 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 -1.3489 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5797 -2.4553 -1.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8228 -1.0313 -1.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 -1.8718 -1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -1.1949 -2.2827 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0822 0.0656 -3.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 -0.2113 -4.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0243 -0.9541 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 -1.4101 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -2.1535 -1.7512 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 -1.1132 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 -1.7064 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2727 -1.2455 -0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5022 0.2402 -0.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1593 0.6274 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4166 2.0812 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6344 2.5501 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8987 1.7772 0.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8511 2.1198 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3633 1.3034 -1.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0868 -0.0952 -1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0316 -1.1523 -1.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2727 -1.1589 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0962 0.0270 -0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6480 -0.2130 0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9299 -0.2639 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9371 -0.1039 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7483 -1.3989 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4195 -1.6944 1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3846 -0.6153 1.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4532 -0.4688 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3283 -1.8238 -3.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4018 -0.6001 -2.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 -2.2836 -2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7147 -3.1297 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9986 -1.8231 -0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4011 -1.6745 -2.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4722 -0.1299 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8887 -0.0969 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1543 1.2217 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7482 -1.3737 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9043 0.0193 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6854 2.4568 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6113 2.2223 0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5619 1.4152 -1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7813 2.8659 -0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4093 3.7674 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4290 4.8115 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3762 4.4062 2.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6791 2.9087 2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8428 1.4608 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 1.7371 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0563 0.0518 2.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0578 -1.2633 2.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5486 1.0386 1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9619 -0.0329 2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7857 -1.2571 -0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9051 -1.9636 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9264 0.5602 -0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -0.3337 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -2.8677 -1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 -2.0384 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -1.8631 -2.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5795 0.7833 -2.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1231 0.5010 -3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8775 0.5719 -4.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 -1.5337 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 -0.0069 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2439 -2.8092 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8231 -1.5139 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2866 -1.6883 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 -1.6700 -1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 0.4367 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 0.8487 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1031 0.0809 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 0.3866 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5641 2.7937 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6909 3.6704 0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3888 2.2366 1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8095 0.7373 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1523 3.1751 -0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0287 1.7695 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5303 -0.2956 -2.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1683 -0.2849 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6021 -2.2035 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8264 -2.1489 -0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4540 0.9264 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8594 0.1121 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9276 -0.3420 1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2931 -0.4407 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6276 0.0792 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6478 0.7285 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0643 -2.2446 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5109 -1.2611 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6702 -1.9058 2.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9993 -2.6537 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8997 0.3686 1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9138 -0.9250 2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7834 -1.4922 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2978 0.1031 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9808 0.0442 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 6 25 83 1 0 25 84 1 0 26 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END