HMDB0267566 RDKit 3D PA(20:4(6E,8Z,11Z,14Z)+=O(5)/i-14:0) 110109 0 0 0 0 0 0 0 0999 V2000 14.0724 -1.7250 -3.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 -0.2911 -3.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7152 -0.3008 -1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5303 -1.1781 -2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5708 -1.2541 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1011 0.0925 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8639 0.5370 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7063 -0.2613 -1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 -0.4854 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5382 -0.1031 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4548 0.6696 1.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 1.9647 2.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1526 2.7195 2.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9666 2.3632 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9492 3.2034 1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 3.0050 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 4.0557 0.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1512 1.9740 -0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 0.5641 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1704 0.0621 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8028 0.0135 2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -1.1591 2.1238 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1.0193 2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3205 0.8836 2.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3005 0.2481 2.0936 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6169 1.1465 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 1.3646 0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 2.3762 -1.1710 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2919 2.1590 -1.5916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8408 2.1059 -2.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6555 3.9743 -0.6368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5579 0.0475 2.7687 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1944 -1.1606 2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 -2.1411 2.2784 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4752 -1.3627 3.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2939 -2.5153 3.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0209 -2.6606 1.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4839 -2.6530 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8184 -1.5763 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -0.2385 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6640 -0.0468 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8808 -0.5976 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1105 -0.2804 -1.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0914 -0.8525 -2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3354 -0.5000 -3.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4323 1.0209 -3.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5407 -0.9726 -2.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4276 -2.2039 -4.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 -1.7215 -3.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0281 -2.3251 -2.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5050 0.3672 -3.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0421 0.0917 -4.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4425 0.7632 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3112 -0.7311 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9617 -0.8018 -3.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9327 -2.1909 -2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8371 -2.0131 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1584 -1.6517 -0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8837 0.8231 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 1.6098 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.1639 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0866 -1.2562 -1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 -1.0930 -0.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 -0.4647 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6091 0.0215 2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5154 0.5826 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0107 2.4131 3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1353 3.7078 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 1.4773 0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0666 4.1645 2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 2.0562 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4473 2.1576 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 0.2109 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7968 -0.0782 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 -0.9976 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 0.6219 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 0.2983 3.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 1.9524 3.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9836 -0.7154 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 2.0896 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3309 0.5748 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 1.3572 -3.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 4.4501 -0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2134 -1.4605 4.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0597 -0.3814 3.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5618 -3.4234 3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9532 -2.8184 4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5154 -3.7199 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0298 -2.0755 2.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1986 -3.1750 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7007 -3.5536 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7378 -1.5235 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7146 -1.9380 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6265 0.3499 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 0.4085 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8078 1.0410 -1.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6182 -0.5121 -2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9070 -1.6933 -0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0996 -0.1766 0.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0389 -0.6481 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2337 0.8321 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0042 -1.9584 -2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2298 -0.4538 -3.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2608 -0.9971 -4.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4137 1.4258 -3.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8934 1.4310 -2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0946 1.2380 -4.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7077 -0.2295 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4650 -1.0045 -3.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3494 -1.9488 -2.1260 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 2 0 15 16 1 0 16 17 2 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 6 26 80 1 0 26 81 1 0 30 82 1 0 31 83 1 0 35 84 1 0 35 85 1 0 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 43101 1 0 44102 1 0 44103 1 0 45104 1 0 46105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 47110 1 0 M END