HMDB0268299 RDKit 3D PA(18:2(9Z,11E)+=O(13)/i-21:0) 129128 0 0 0 0 0 0 0 0999 V2000 15.4600 1.9692 1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1069 2.4614 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4455 2.9886 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3454 3.5487 -1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2232 2.6642 -1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4281 2.2420 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 3.0381 0.6652 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8818 0.8982 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5479 -0.1738 -0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 -1.0912 -1.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1855 -2.2930 -1.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 -2.8939 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2115 -3.5152 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -2.7489 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3662 -1.7717 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9066 -0.5592 -0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8982 0.3589 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 0.8458 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 -0.1352 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4627 -1.1948 -0.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 0.1117 -2.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9436 -0.8350 -2.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 -0.9814 -1.4058 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0431 -2.2338 -1.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 -2.4869 -0.9828 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8496 -3.8749 -1.4806 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1422 -3.4181 -2.1467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9961 -4.7342 -2.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -4.8774 -0.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 0.1555 -1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 0.9476 -0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3163 0.4947 0.7511 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 2.0954 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 1.9514 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 1.8785 1.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 0.8304 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4912 -0.5999 2.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7998 -1.1920 2.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0313 -0.9334 1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 -1.3266 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2491 -1.1086 -0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4296 -1.8581 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1439 -1.6288 1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7699 -0.2456 1.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8192 -0.1314 0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5825 1.1451 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2925 1.3489 1.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0870 2.6111 1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1592 2.6544 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3140 1.7355 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0536 0.2757 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3765 2.0624 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0887 1.5101 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0073 2.8259 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3066 1.2387 2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4889 1.5372 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7783 3.2220 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9705 2.1396 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2345 3.7994 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 4.5293 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8338 3.8758 -2.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5705 1.7165 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4972 3.1017 -2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0163 1.0631 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1006 -0.7237 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1670 -0.7964 -2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3193 -2.9617 -2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2352 -2.2208 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1278 -3.7352 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5017 -4.4442 -1.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7470 -4.0321 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -2.1433 -2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5183 -3.4528 -2.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7532 -2.2995 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 -1.4911 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6387 0.0244 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5473 -0.8816 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4245 1.2604 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4762 -0.2174 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 1.6706 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 1.2984 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 -1.8147 -2.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5457 -0.5965 -3.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1646 -1.1661 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 -2.2386 -2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -3.0722 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 -4.2336 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7101 -4.7449 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2107 2.3652 -1.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 2.9891 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 1.1046 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 2.8390 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5608 2.8899 2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9616 1.8913 1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 0.9981 3.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 1.0159 2.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 -1.1376 2.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 -0.9483 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 -1.1232 3.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -2.3465 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7898 -1.6293 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5087 0.0467 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6607 -2.4225 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 -0.7932 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4674 0.0263 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0285 -1.2831 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1890 -1.7802 -0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1657 -2.9951 -0.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7980 -2.0646 2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1274 -2.2988 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0419 0.5672 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1950 -0.1698 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4626 -1.0454 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3783 -0.2543 -0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8402 1.9680 0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2617 1.2099 -0.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8765 0.4991 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4859 1.4525 2.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5269 2.7609 2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3502 3.4377 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5832 3.7076 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7661 2.5576 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8206 1.9984 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9308 -0.2154 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0741 -0.1545 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1669 -0.0321 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0724 1.1888 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8673 2.9966 -0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8992 2.1665 -1.5353 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 23 30 1 0 30 31 1 0 31 32 2 0 31 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 1 24 85 1 0 24 86 1 0 28 87 1 0 29 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 52129 1 0 M END