HMDB0007305 RDKit 3D DG(18:3(9Z,12Z,15Z)/18:1(9Z)/0:0) 112111 0 0 0 0 0 0 0 0999 V2000 -11.2125 -3.9065 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9415 -2.5726 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9508 -1.8360 -1.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3972 -0.6689 -1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6896 0.1149 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3313 1.4124 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7526 2.5571 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3436 2.6789 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5508 3.4248 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5229 2.9952 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9472 1.6739 0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0267 0.8880 1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4053 1.5354 3.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9709 1.8494 2.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 0.5903 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7266 0.9572 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 1.8878 1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7454 1.1839 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 1.8645 -0.9083 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 -0.1697 0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 -0.8874 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0065 -0.7510 -2.0621 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1896 -1.6454 -3.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0521 -1.5710 -4.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 -1.2047 -1.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 -0.3046 -1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.8431 -1.6065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4362 -0.7174 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 0.3806 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 0.7196 -1.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0197 1.7072 -1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 1.3970 -1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 0.6626 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -0.8272 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4662 -1.4230 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3921 -2.3279 -1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7712 -2.9251 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2124 -2.7223 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6158 -1.2961 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 -1.2002 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4290 0.2634 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8516 0.5072 1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7855 -0.0736 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2116 0.2233 0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5372 -4.0797 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9313 -4.7217 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5822 -3.8092 -1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0035 -2.8941 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4795 -2.0597 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4675 -2.3421 -2.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4721 -0.2159 -2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6099 0.1711 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6698 -0.4371 0.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3961 1.4033 0.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3402 3.4935 -0.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3891 3.4128 -1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8749 1.8122 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9152 4.4437 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0222 3.6473 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8473 1.7516 0.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4301 1.0234 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 -0.0819 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1309 0.7109 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4618 0.7662 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0016 2.3857 3.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7810 2.5443 2.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6079 2.3658 3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5059 0.0687 1.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3079 -0.1515 3.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1183 0.0231 2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.3949 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 2.8704 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3329 2.0628 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1108 -0.4831 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 -1.9408 -0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9339 0.2848 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -1.3614 -3.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 -2.6973 -2.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2502 -1.6073 -3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8871 -1.6458 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1365 -0.9575 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2445 0.2903 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 1.3120 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 1.0689 -2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 -0.2589 -2.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9744 2.2228 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6793 2.6203 -1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8427 0.8744 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0222 2.4068 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9556 0.7948 -0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4374 1.1075 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6262 -1.2027 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 -1.1650 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2717 -1.0589 -2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 -2.6798 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0749 -2.6374 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5786 -4.0557 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4014 -3.2472 1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8214 -3.1962 -0.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5174 -0.7503 -0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 -0.7685 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7207 -1.7193 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2029 -1.6939 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2018 0.7733 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7492 0.6762 1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9891 1.6165 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0331 0.0623 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6763 0.4560 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6596 -1.1747 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 -0.6373 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8727 0.3566 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2173 1.1699 1.4734 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 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 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 21 74 1 0 21 75 1 0 22 76 1 6 23 77 1 0 23 78 1 0 24 79 1 0 28 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 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 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 44112 1 0 M END