HMDB0297515 RDKit 3D DG(a-15:0/20:4(5Z,8Z,10E,14Z)-OH(12S)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 12.4447 -1.5948 -2.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7187 -0.7542 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1622 0.6122 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7211 0.8024 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7106 0.3078 -0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6336 -1.1434 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5279 -1.8361 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3005 -1.2764 -1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1585 -1.5541 -0.0766 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0178 -1.0164 -0.6206 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4652 -1.0656 1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 -0.3965 1.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7949 0.0964 3.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 0.7521 3.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5613 1.0795 3.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 2.5588 3.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 3.1909 2.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 2.5909 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5248 2.9570 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 2.3690 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 0.9059 -0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.2493 -1.7635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.1140 0.2987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 -1.2685 0.2907 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8406 -1.8815 1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6221 -1.5505 2.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.9619 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4658 -1.6722 -0.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 -0.4968 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8209 0.5000 -0.0229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 -0.4441 -1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2509 -1.3724 -1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 -0.9252 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4585 0.4205 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 0.5072 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7049 -0.4843 -0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 -0.3825 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9872 0.8700 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0922 1.4640 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3850 0.8733 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8138 -0.3606 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2848 -1.6721 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0364 -0.3218 -1.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9233 0.0115 -2.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1407 -1.3116 -3.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4016 -1.4892 -2.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5607 -2.6790 -1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8730 -0.5893 -1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5716 -1.2213 -0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6890 1.1566 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4655 1.2300 -0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 0.3154 -2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5857 1.9342 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9239 0.7451 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 0.7800 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4611 -1.7208 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5757 -2.9164 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -1.9011 -1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 -0.2179 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0455 -2.6706 -0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -0.4138 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4286 -1.2501 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5793 -0.2333 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7922 -0.0832 3.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 1.0778 4.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 0.5655 2.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8611 0.7547 4.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 3.1347 4.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0773 4.2901 2.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6974 3.0258 0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 1.5215 0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 2.6496 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 4.0763 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 2.7334 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 2.6618 -1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2309 -1.5843 -0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 -1.7551 0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6425 -2.9952 1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -0.7219 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 -1.8471 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 -3.0850 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7636 -0.8750 -2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4973 0.5853 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7785 -2.3597 -1.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0166 -1.4956 -2.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 -1.7109 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 -0.8494 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7823 0.6989 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7282 1.1923 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0016 1.5502 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3027 0.3406 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4831 -0.5501 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1993 -1.4984 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3762 -0.3946 1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7953 -1.3091 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2976 0.7497 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1417 1.6578 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3042 2.4661 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7163 2.0008 -0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0597 1.7138 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8439 0.8216 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9474 -0.4461 -0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0953 -2.4581 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3745 -2.0064 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0858 -1.6073 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4268 -1.3387 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9279 0.3514 -2.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3075 0.3565 -3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1964 -0.8059 -3.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3561 0.8787 -2.4897 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 24 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 41 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 3 51 1 0 4 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 1 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 6 25 77 1 0 25 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 42103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END