HMDB0286697 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/18:3(6Z,9Z,12Z)) 136135 0 0 0 0 0 0 0 0999 V2000 7.2150 2.1984 2.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 2.3550 1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9233 1.0423 0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2757 0.4910 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 1.1324 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 1.3636 -2.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6765 0.8867 -3.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 0.0129 -2.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7545 -1.2659 -3.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7802 -2.4066 -3.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 -2.6403 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7914 -3.2731 -1.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7996 -4.4290 -0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6111 -5.2608 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3999 -5.5212 1.1870 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6059 -6.1790 1.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -6.5243 1.4128 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3282 -6.9290 2.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 -5.9974 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 -4.8331 2.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2363 -4.2948 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 -3.7994 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2766 -2.6817 0.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -4.5425 -0.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3588 -4.2837 -1.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 -3.1735 -1.5707 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0615 -3.2127 -2.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2057 -2.4383 -2.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0077 -2.4907 -4.3322 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0244 -2.8657 -5.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6361 -0.9819 -4.6936 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2273 -3.6370 -4.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4540 -3.1904 -4.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4887 -4.2872 -4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6763 -4.7486 -3.2035 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.3561 -3.7056 -2.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4507 -5.1090 -2.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5194 -5.9292 -3.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 -1.8828 -1.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -1.1460 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4599 -1.7701 0.4358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 0.2342 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0345 0.3420 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 1.7241 1.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 2.6728 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7017 2.2500 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 2.8418 -0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 4.0925 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 4.8163 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 6.0310 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 6.8762 -0.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9263 8.1518 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5571 8.7478 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 8.2277 1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0985 9.1558 2.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 8.8479 4.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6973 7.5928 4.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 6.3532 4.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 3.1958 3.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 1.5719 3.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1956 1.7395 3.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5498 2.9396 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 2.9780 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7852 0.4939 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 -0.4884 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 0.4078 -0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8111 2.1024 -0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2235 2.0042 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9553 1.1230 -4.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 -0.1518 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.5620 -3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 -1.1608 -4.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9785 -3.3002 -3.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4204 -1.7220 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 -3.2551 -1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7139 -2.7102 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -4.8886 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7139 -5.0303 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -6.2972 -0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -4.6141 1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5231 -6.5528 2.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4655 -7.3903 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6206 -6.1476 3.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -5.6596 0.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -6.8163 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -5.1761 3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3721 -4.0181 1.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4802 -5.0592 2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 -3.4202 2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4732 -4.1335 -2.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 -5.2202 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1699 -3.4536 -0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4341 -2.8564 -3.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3389 -4.2630 -3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3365 -2.9352 -5.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7299 -2.3039 -4.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4827 -3.8974 -4.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2472 -5.1305 -5.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5839 -3.1389 -1.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9756 -3.0445 -3.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0577 -4.2040 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7291 -5.7984 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7951 -5.6668 -3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9275 -4.2234 -2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1632 -6.0235 -2.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8873 -6.8170 -3.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1927 -5.9001 -4.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 0.8784 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1194 0.6751 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1479 -0.2924 1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -0.1216 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5386 2.1250 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 1.6915 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4447 3.6741 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 2.6205 -0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 1.2540 -1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 2.2524 -1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 4.6980 -1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 3.7848 0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 4.3278 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5095 6.3966 1.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 6.3268 -1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 7.0266 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9217 8.7712 -1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 9.7736 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 8.3923 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 7.2163 2.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 9.3583 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 10.1669 2.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 9.7011 4.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 8.9409 4.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7285 7.6122 5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 7.5033 4.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 5.6737 5.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 6.4970 3.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 5.7820 3.5806 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 1 0 15 17 1 0 17 18 1 0 17 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 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 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 14 79 1 0 15 80 1 1 16 81 1 0 17 82 1 6 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 36 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 38107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 31 -1 35 1 M END