HMDB0287621 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 137136 0 0 0 0 0 0 0 0999 V2000 0.2438 -11.0394 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6517 -11.0434 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5179 -10.5483 2.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -9.4645 2.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9525 -8.6518 1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3273 -8.5303 2.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8146 -7.3477 2.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0824 -6.0660 2.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -5.4580 3.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -4.2840 4.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -3.3636 3.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4136 -3.0206 3.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 -1.7746 3.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -0.7215 3.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 0.5669 4.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 1.6241 3.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 2.2669 5.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4203 2.6769 2.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 3.6945 2.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7087 4.7088 1.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0535 4.1177 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 4.0531 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1871 3.6108 -0.6234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 3.0635 -1.8440 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9151 3.4617 -3.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6761 2.8387 -2.9905 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 2.9639 -3.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 3.7318 -4.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 2.1804 -3.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 3.0684 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 2.2261 -2.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4553 1.5174 -4.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 0.6256 -3.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 1.2425 -3.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 0.1032 -3.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3866 -0.2976 -2.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1202 0.4024 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3992 0.8665 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7552 2.0857 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8864 3.2526 -0.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6663 4.0397 0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0504 5.2665 1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7636 6.1648 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2604 5.7959 -1.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9457 6.2823 -2.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9609 7.3572 -2.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 6.9307 -3.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 1.5268 -1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0273 1.0993 -0.5266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7087 -0.5311 -0.2009 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3114 -1.2058 -1.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 -1.2001 0.5301 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4327 -0.6762 0.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3677 0.1538 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 0.1057 1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 -1.1968 1.6133 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5540 -2.1530 2.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -1.7033 0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -1.1418 2.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4451 -11.7128 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -10.0173 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -11.3257 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 -12.1735 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -10.6270 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 -11.1522 2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9869 -9.1048 3.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 -8.9830 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 -7.6692 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 -9.4238 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8337 -7.2753 2.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6813 -5.4541 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 -6.1117 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 -6.0726 4.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -3.9309 5.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3858 -2.5444 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2951 -3.8929 2.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1128 -3.8589 3.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7236 -1.5282 4.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -0.8387 3.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0234 0.7850 4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 1.1965 3.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 2.6634 5.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2916 3.2888 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 2.3485 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 3.2188 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1798 4.2243 3.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8408 5.3862 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 5.3440 2.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 3.1514 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4803 3.1049 -3.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8822 4.5555 -3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5406 1.3742 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 1.6511 -4.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 3.5400 -2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9142 3.8127 -4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8049 2.9383 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 1.5065 -2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 2.2451 -5.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 0.8649 -4.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -0.2439 -3.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9042 0.1589 -4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3622 1.8882 -4.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 1.8960 -2.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0623 -0.4429 -4.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0612 -1.1391 -2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7086 -0.4362 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3091 1.1119 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1425 0.0750 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7671 2.2869 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8446 2.8084 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1984 3.7895 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1285 3.5322 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7684 5.6923 2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6445 6.5622 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1739 7.1246 0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0581 5.0121 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4451 5.8564 -3.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4798 8.1584 -3.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6507 7.8869 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8512 7.0136 -2.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6530 7.5962 -4.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8484 5.8932 -3.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 1.3672 -1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 1.0046 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 -0.0783 -0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 1.1889 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4252 0.7979 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4494 0.5330 2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 -2.5797 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2205 -1.5773 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0106 -2.9554 2.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -0.8645 -0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8566 -2.2891 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8085 -2.4091 -0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6503 -2.1458 3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.8703 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2347 -0.3933 3.4131 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 2 0 15 16 1 0 16 17 1 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 57129 1 0 57130 1 0 57131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 52 -1 56 1 M END