HMDB0289703 RDKit 3D PC(P-18:1(11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 138137 0 0 0 0 0 0 0 0999 V2000 4.2905 -1.4305 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0406 -2.5959 -3.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6752 -2.4420 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -3.2689 -3.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8144 -4.5595 -3.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -4.5440 -1.9135 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4762 -4.3944 -2.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 -3.5194 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -2.4830 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 -1.5588 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 -0.4768 0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8837 0.3609 1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 1.4548 2.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 1.8974 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 2.9797 2.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9177 3.8744 3.3860 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2651 3.1520 4.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0675 4.8283 2.6213 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7055 5.5619 3.6513 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7804 5.8461 1.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1136 6.8529 1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 6.5685 -0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7395 5.7668 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 6.3634 -0.4726 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 4.3945 -0.3330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 3.6446 -0.5824 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6246 2.5473 -1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 3.1318 -2.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 2.3471 -3.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 2.0489 -3.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4155 1.2425 -4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 0.0083 -4.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 -0.8252 -5.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3749 -2.0704 -4.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 -1.9108 -3.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 -1.0722 -3.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6279 -0.9230 -2.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4794 -0.4010 -1.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -1.1824 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1452 -1.7354 0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 -1.6750 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5661 -1.0029 2.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 -0.9680 3.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0579 -0.2993 4.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1955 -1.0417 5.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6428 -2.4802 5.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 3.0550 0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 2.3367 0.4786 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2915 1.6555 1.8741 P 0 0 0 0 0 5 0 0 0 0 0 0 6.7114 2.0721 2.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3241 2.1859 3.1814 O 0 0 0 0 0 1 0 0 0 0 0 0 5.0848 -0.0119 1.7869 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -0.6983 2.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 -2.1681 2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0261 -2.8227 1.4576 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6170 -4.1196 1.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0334 -2.0985 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 -3.1069 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -0.4687 -2.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -1.3572 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2612 -1.5544 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 -2.3718 -4.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 -3.5489 -2.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 -1.4994 -4.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7328 -2.9925 -4.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -4.8304 -2.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4991 -5.3476 -3.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 -5.5541 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 -5.0094 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1482 -3.6188 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -2.3745 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -1.7447 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -0.3197 0.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8773 0.1032 2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9326 2.0257 3.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5515 1.3453 1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5494 3.2731 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 4.5438 3.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8934 2.9490 5.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 4.2863 1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 5.4142 4.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 6.2997 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4774 5.2442 1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 7.7065 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 7.4478 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 7.6004 -0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 6.1058 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 4.3454 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 1.8027 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 2.0159 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 1.9485 -4.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 2.4655 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2242 1.8532 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 0.9333 -5.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -0.5771 -3.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6805 0.3761 -3.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -1.1261 -5.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5042 -0.1739 -5.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 -2.8303 -4.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9244 -2.5402 -5.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6361 -2.9011 -3.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 -1.3551 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -0.0760 -4.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9851 -1.5075 -4.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 -0.3239 -3.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 -1.9284 -2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5241 -0.3121 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 0.6918 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 -1.3547 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4359 -2.3101 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8082 -2.7544 1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2896 -1.2797 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9939 -1.6347 3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2257 0.0250 2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3955 -2.0100 3.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6822 -0.4814 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5808 0.7051 4.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0958 -0.2291 4.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2949 -0.5721 6.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1342 -1.0302 5.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3003 -3.1293 4.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1660 -2.8583 6.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7330 -2.4995 5.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 3.8764 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 2.3559 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 -0.3218 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4968 -0.3517 3.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 -2.4712 2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3447 -2.5872 3.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1663 -4.5738 2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -4.8585 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6968 -4.0612 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0656 -2.4053 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9126 -0.9988 0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 -2.3530 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 -2.1879 0.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -3.9560 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2052 -3.3878 -0.4041 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 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 2 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 26 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 1 7 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 1 17 79 1 0 18 80 1 6 19 81 1 0 20 82 1 0 20 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 22 87 1 0 26 88 1 6 27 89 1 0 27 90 1 0 29 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 M CHG 2 51 -1 55 1 M END