HMDB0262684 RDKit 3D PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/10:0) 102101 0 0 0 0 0 0 0 0999 V2000 -9.8425 2.0293 2.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8484 2.4311 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3875 1.1795 1.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3614 1.4621 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9188 2.2153 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9453 1.6699 -2.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5572 1.3260 -1.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6042 2.3850 -1.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2143 1.7986 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1015 0.7308 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9859 0.4755 0.4594 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9253 -0.0669 -0.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7388 -1.1194 0.4619 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6253 -1.0346 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3265 -0.9360 1.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 -1.7562 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 -2.8611 -0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0656 -1.4263 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 -2.5535 -0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -2.4335 -1.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 -2.3588 0.1646 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4546 -3.5854 0.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 -2.4715 -0.1305 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8973 -2.6576 1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -1.2566 -0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -0.8105 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 0.3749 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 0.7327 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 1.9011 -0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7015 2.2967 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3905 1.5704 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5857 2.0335 1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2654 1.2741 2.1426 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7792 1.6413 3.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7630 1.4148 2.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.9326 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8601 1.1036 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5956 0.6575 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1909 1.4130 -1.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8696 -2.4686 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1982 -2.6247 -0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2371 -4.1612 -1.4443 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.5561 -4.2741 -2.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0553 -5.3890 -0.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0072 -4.2927 -2.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2367 2.1389 3.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8799 2.5970 2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5608 0.9401 2.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7019 2.9359 2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4946 3.2034 1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9492 0.6542 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5982 0.4818 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2621 1.9519 0.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7839 0.4640 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8861 2.3676 -1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7140 3.2883 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4214 0.6850 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0003 2.3059 -3.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4022 0.4220 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1214 0.9626 -2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8152 2.7980 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5167 3.2134 -2.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0094 1.3834 -2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4409 2.5950 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7029 -1.0940 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7767 -1.8892 2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 -0.1389 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 -0.4659 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 -1.1991 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 -2.7080 -1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 -3.4834 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 -1.6363 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 -3.3978 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 -1.5613 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2379 -3.8642 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4463 -3.3576 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -2.1043 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3545 -0.7247 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 -1.3609 0.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2487 0.9904 -1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 0.1408 0.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0327 2.4723 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1543 3.2039 -0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0128 0.6860 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9935 2.9290 0.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0474 0.1937 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0082 1.0408 3.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9855 2.4945 2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1642 0.8065 2.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0993 -0.1190 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0160 1.6095 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0860 2.1255 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2041 0.4407 1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6785 0.8435 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5023 -0.4312 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8646 2.4571 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3982 0.9255 -2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0832 1.4577 -2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2653 -2.5433 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6009 -3.3124 0.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2208 -5.9156 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8255 -3.4099 -3.0282 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 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 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 13 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 13 65 1 1 14 66 1 0 14 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 1 22 75 1 0 23 76 1 6 24 77 1 0 25 78 1 0 26 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 30 83 1 0 31 84 1 0 32 85 1 0 33 86 1 6 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 44101 1 0 45102 1 0 M END