HMDB0007149 RDKit 3D DG(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 114113 0 0 0 0 0 0 0 0999 V2000 14.3561 -3.3956 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4156 -2.6526 3.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 -2.3581 2.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6901 -1.1310 2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3321 0.0739 2.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8289 1.0780 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8595 1.2191 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3490 0.3432 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5171 1.0898 -1.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3477 0.9354 -2.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 -0.0167 -1.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4072 -1.1220 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6686 -1.3973 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5314 -0.7097 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 0.5140 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 0.6482 -0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8108 -0.4289 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -0.0251 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -1.1329 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0602 -1.6390 -0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -0.7145 -1.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -0.1663 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2342 -0.3010 0.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 0.5536 -1.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 1.1068 -1.4138 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1017 2.5691 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 3.1648 -1.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1201 0.2602 -2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3991 0.6920 -1.7785 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0437 1.6843 -2.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4831 2.2809 -3.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4468 2.1001 -2.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6857 1.6125 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1052 1.9286 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3634 3.3699 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6618 3.9105 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4466 3.8236 1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0547 2.6115 1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1759 1.5776 2.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1834 0.3429 1.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1023 -0.1852 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9492 -1.3227 1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0853 -2.4270 2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2225 -3.0555 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0928 -3.6449 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1882 -4.2727 -1.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4435 -2.7555 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9632 -4.4041 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3551 -3.4409 2.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9642 -1.8455 3.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1336 -3.3554 3.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6305 -3.2245 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7423 -1.1320 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1338 -0.1183 3.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5428 0.6047 3.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3222 1.9810 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3471 2.1537 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2595 0.0084 -1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8175 -0.4967 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0761 2.0106 -2.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0342 1.7929 -2.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2884 0.5086 -1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1663 -0.5224 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2154 -1.8662 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9781 -2.3537 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8807 -0.4616 1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7202 -1.4654 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6423 1.4463 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 1.6231 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 -1.4154 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 -0.5422 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 0.1534 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 0.9442 -0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 -2.0063 0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 -0.8084 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 -2.2083 -1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3452 -2.4890 -0.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9987 -1.1775 -2.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.1857 -2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 0.8588 -0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 3.0341 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 2.8635 -2.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3497 4.0260 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -0.7893 -1.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8793 0.1716 -3.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1048 1.5794 -2.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5798 3.1731 -2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9674 2.0418 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5883 0.5266 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8193 1.2603 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9814 1.6199 0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1076 3.8013 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5217 3.8339 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7066 5.0365 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3777 3.4837 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7694 4.3261 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2674 4.6755 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8378 2.2768 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6469 2.9400 2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3981 1.8272 3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4465 -0.3901 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4718 -0.6693 0.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8058 0.4777 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6896 -1.6282 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4372 -0.8693 2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4761 -2.0273 2.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7845 -3.2260 2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4878 -2.3859 0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6555 -3.9103 1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7597 -4.4148 0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7271 -2.8981 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0894 -5.3524 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6029 -4.1288 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1585 -3.8595 -1.0115 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 16 69 1 0 17 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 21 78 1 0 21 79 1 0 25 80 1 1 26 81 1 0 26 82 1 0 27 83 1 0 28 84 1 0 28 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 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END