HMDB0285889 RDKit 3D PC(15:0/20:3(6,8,11)-OH(5)) 134133 0 0 0 0 0 0 0 0999 V2000 2.1518 10.1490 2.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 10.0265 2.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 10.4284 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 10.4863 1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 9.3264 1.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 8.8737 3.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2937 7.6500 3.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8283 6.4709 2.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 5.3527 2.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4888 4.7758 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4376 3.6607 2.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 2.4551 1.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 2.4604 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 1.3086 -0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4263 1.3993 -1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 0.3013 -1.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9231 -0.5533 -2.1853 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.4777 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 0.4896 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4793 -0.0630 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2081 -1.0790 -0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6041 -2.0913 -1.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5512 -0.8778 -1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 -1.7767 -1.8208 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5932 -2.1620 -1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5729 -2.8431 0.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0419 -2.5470 1.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 -1.4746 1.3636 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 -3.5574 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4009 -3.3246 3.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -3.4415 3.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -3.2409 4.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6295 -3.4226 4.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1214 -2.4710 2.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3242 -2.7181 2.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2039 -2.5955 3.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -2.8385 3.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9252 -4.2048 2.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4093 -4.3385 2.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7694 -5.6884 2.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -6.0067 0.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4311 -5.0510 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6824 -1.1415 -3.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 -0.8566 -3.8014 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 -0.1689 -5.3290 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1411 0.3275 -5.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6093 1.0762 -5.5948 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4587 -1.3417 -6.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3981 -2.1181 -6.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -3.2215 -7.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 -4.0042 -6.6073 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0960 -3.2712 -5.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4595 -5.1640 -5.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -4.5172 -7.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 9.5736 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 11.1945 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 9.6763 3.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4265 8.9241 3.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 10.6050 3.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 11.4669 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4724 9.8347 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 11.4010 2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6615 10.8880 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 9.5674 1.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9674 8.5078 0.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 9.6899 3.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 8.7761 3.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3233 7.9712 2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 7.4163 4.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6403 6.6437 1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 6.1234 2.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 4.9822 3.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3972 5.1057 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4458 3.9705 1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4428 3.4077 3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5821 1.5630 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 3.3760 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 0.3786 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 2.3842 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 0.7602 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 -0.7197 -3.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 -0.8893 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4473 -1.2980 -1.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 1.3541 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 0.9309 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -0.5211 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.7397 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6503 -2.6631 -2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1961 -1.2022 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -2.6984 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 -3.5502 2.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 -4.5719 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6436 -4.1156 4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 -2.3421 3.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 -4.4468 2.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 -2.6982 2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.2804 4.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3319 -4.0925 5.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5011 -4.4868 3.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -3.2350 4.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -1.4186 3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7248 -2.5864 2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 -1.8680 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 -3.6732 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 -3.2875 4.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 -1.5676 4.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0650 -2.0630 2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2442 -2.7518 4.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 -4.9460 3.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 -4.4802 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9468 -4.2767 3.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8194 -3.5113 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8613 -5.7121 1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5053 -6.4620 2.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -6.1480 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -7.0085 0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6049 -5.0416 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4920 -4.0260 0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3715 -5.2584 -0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2290 -0.2129 -2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3317 -1.8274 -3.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 -1.4707 -6.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6553 -2.5479 -5.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7644 -2.8060 -8.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -3.9307 -7.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -3.9707 -5.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6789 -3.0492 -4.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 -2.3725 -6.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -4.9260 -4.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 -5.9294 -5.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 -5.6083 -6.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 -4.8299 -8.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -5.4175 -7.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 -3.8194 -7.9736 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 1 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 2 0 15 16 1 0 16 17 1 0 16 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 26 27 1 0 27 28 2 0 27 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 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 24 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 24 88 1 6 25 89 1 0 25 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END