HMDB0115148 RDKit 3D PA(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) 115114 0 0 0 0 0 0 0 0999 V2000 16.0914 1.7385 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4341 0.5419 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9303 0.6830 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3832 1.9525 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8659 1.9652 0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7844 1.9236 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1986 1.0012 -1.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4918 -0.1892 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3246 -0.6182 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -0.7171 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8221 -0.4356 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 0.0801 -0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 -0.5114 -1.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 -1.8462 -1.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7488 -1.7940 -1.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9736 -2.1670 -0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -2.6568 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -1.8779 1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4656 -1.7754 2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8062 -1.0100 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 0.0700 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.3625 0.3445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1271 -0.7934 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 0.4076 -0.3238 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1962 1.6399 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 2.7978 -0.1613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 4.2056 0.0549 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2271 3.8979 0.5841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 5.0652 -1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 5.1490 1.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9034 0.0807 0.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2655 -0.0335 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6133 0.1834 -0.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1666 -0.3949 1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5670 -0.7881 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 -1.9670 0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6389 -2.6264 -0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6295 -1.8685 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4479 -0.8229 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3818 -0.2579 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2806 0.7461 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6245 0.6427 -1.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2752 -0.5209 -1.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0791 -1.3533 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2894 -0.8524 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1936 0.3139 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6133 0.5253 1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4542 1.6952 2.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9972 2.5960 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1516 1.4638 -0.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5782 1.9172 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7236 -0.3843 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6621 0.4001 1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4970 -0.2233 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6637 0.6119 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 2.0164 2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7678 2.8295 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4109 1.1984 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4677 2.9703 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2876 2.7847 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 1.1780 -2.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 -0.3895 -1.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1678 -1.0778 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -0.9510 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2986 -1.0857 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1528 -1.2787 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4618 0.3844 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 1.0912 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6222 -0.0010 -2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5733 -2.4898 -2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6346 -2.3606 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3313 -1.4372 -2.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -2.1066 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4522 -2.9549 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8645 -3.6864 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 -0.8109 1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4783 -2.2134 2.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3253 -1.2807 3.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -2.7959 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -0.5148 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7791 -1.6353 -1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 0.5624 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5366 1.7794 -0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.7254 0.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5665 4.6281 -2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 5.5001 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7742 -1.3076 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 0.4487 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2119 -0.9522 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 0.1133 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8737 -1.6011 -0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7182 -2.7132 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1169 -3.1108 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -3.5808 -0.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3611 -2.6194 -1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1728 -1.4101 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1187 -1.2937 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8808 -0.0411 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6527 0.3180 -2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7448 -1.0521 -2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8724 1.6716 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1779 1.4915 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9633 -0.1823 -2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5844 -1.2126 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3712 -1.6567 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2782 -2.3843 -1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7414 -1.6941 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1210 -0.6791 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0463 1.2885 0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5158 0.1826 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7615 -0.3845 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3578 0.6987 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8909 1.3672 3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8971 2.5316 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4774 2.0315 2.7510 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 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 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 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 0 23 81 1 0 24 82 1 6 25 83 1 0 25 84 1 0 29 85 1 0 30 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 48115 1 0 M END