HMDB0007694 RDKit 3D DG(22:4(7Z,10Z,13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 120119 0 0 0 0 0 0 0 0999 V2000 11.8901 -5.3455 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5690 -4.4272 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0909 -5.1855 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9261 -5.0115 -1.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9200 -4.0417 -1.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5404 -3.0806 -2.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 -1.7883 -2.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2428 -1.1524 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4857 -0.4262 -1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7418 0.8249 -1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9476 1.8807 -0.8869 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6631 1.7371 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 2.2311 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 3.0048 -1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 4.4016 -1.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 5.2585 -1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 5.0693 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 5.6303 0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 5.1005 0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 3.7258 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8273 3.0220 1.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 3.2545 0.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 2.0663 1.1127 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1853 2.2223 2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 2.6426 3.4346 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 1.4376 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 0.2696 0.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 -0.3973 -0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2475 0.0916 -1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -1.5969 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7225 -1.5588 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7923 -0.5328 1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 0.8808 1.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4729 1.8877 1.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0495 1.7453 2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3271 1.5331 3.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3870 1.4067 1.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3162 2.5731 2.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5415 2.3905 2.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2434 1.1147 2.7183 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3886 1.1470 1.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5884 0.2828 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7025 -0.8710 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5799 -2.0797 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8244 -2.9323 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2962 -2.8364 -1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4327 -2.7210 -2.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3004 -3.9551 -2.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4407 -3.8761 -3.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3277 -2.6810 -3.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -4.8069 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2444 -6.2415 0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9778 -5.6100 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5490 -3.9118 -0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 -3.6405 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7794 -5.9453 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6526 -5.6372 -2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9652 -4.6954 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0959 -3.6803 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1003 -3.5139 -3.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3627 -1.1220 -3.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5456 -1.9037 -0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4729 -0.5430 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2929 -1.0502 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7644 1.1663 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 2.7468 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6616 2.4433 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 1.1875 0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6207 1.9815 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2865 2.7483 -2.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5591 2.4909 -2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0578 4.8215 -3.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6450 6.3259 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9709 4.0583 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 5.7216 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5397 6.7499 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 5.6524 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 5.7444 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0871 5.1785 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 1.3518 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 2.9780 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7857 1.2140 2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 1.9504 3.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 1.0942 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 2.1327 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 -1.8319 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2113 -2.4474 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2312 -2.5684 1.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9953 -1.4376 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -0.7429 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -0.7189 2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9116 1.0922 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 1.0422 2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 1.8659 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 2.8877 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 1.8212 3.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6359 1.4412 4.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8814 0.4454 1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 1.5680 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8680 3.6002 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1667 3.2908 2.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6592 0.2111 2.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6817 1.1653 3.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1521 1.9567 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4628 0.3495 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3629 -0.7500 -0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8241 -0.9605 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0051 -2.2124 1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4757 -3.7762 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8542 -3.8662 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4895 -2.1504 -1.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9667 -2.6316 -3.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0802 -1.8242 -2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7737 -4.0259 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6909 -4.8151 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0406 -4.8031 -3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0045 -3.8482 -4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3910 -3.0118 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1105 -2.1446 -2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2448 -1.9418 -4.0761 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 23 26 1 0 26 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 1 24 81 1 0 24 82 1 0 25 83 1 0 26 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