HMDB0113317 RDKit 3D PE-NMe(20:1(11Z)/18:3(6Z,9Z,12Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -2.3896 4.9224 -4.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 5.5465 -5.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7108 5.5882 -4.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 6.3734 -2.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2776 5.9793 -2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 6.8689 -0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3168 6.4424 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 5.0050 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7373 4.8442 1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7334 4.3153 2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 3.8301 3.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 2.3639 3.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 1.7729 4.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 2.4252 5.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 1.9198 6.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 2.1639 6.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 1.7064 4.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8004 0.2455 4.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2332 -0.5648 5.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 -0.2725 3.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -1.6971 3.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 -1.7302 1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0098 -2.9938 1.4725 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 -2.9878 0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -1.8039 -0.0957 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5415 -4.0797 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7519 -5.2222 -0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -6.0243 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -7.1886 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 -6.8982 -1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -6.1010 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 -5.7694 -1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4945 -4.9181 -3.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 -4.6157 -4.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0689 -3.7560 -5.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -2.5430 -5.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -1.8624 -4.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.5600 -4.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 0.1745 -3.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 1.4643 -2.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5227 1.1799 -1.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 2.3986 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 3.0829 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 4.2795 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 -2.1683 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8432 -3.4974 2.2815 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 -3.7404 1.8032 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7241 -3.2295 0.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -5.3958 1.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 -2.9173 2.9264 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7736 -2.9242 2.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6675 -2.2097 3.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2405 -0.8261 3.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4924 -0.1098 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4354 4.2758 -4.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 5.6655 -4.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 4.2527 -5.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1324 4.9735 -6.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 6.5888 -5.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 5.8716 -4.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8999 4.5132 -3.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3748 6.2499 -2.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 7.4922 -3.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 6.2725 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 4.9170 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1115 7.9618 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2739 7.1720 1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 4.3686 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 4.6055 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 5.1651 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 4.2218 3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 4.3309 4.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 4.0054 2.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 1.7705 2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8669 0.6644 4.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 2.0745 6.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6782 3.5099 5.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 0.7994 6.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4322 2.3236 7.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3188 1.6700 6.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 3.2526 6.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 2.2922 3.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5018 1.8935 4.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 -2.1644 3.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4896 -1.1403 2.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 -1.1442 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 -3.6507 -1.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 -4.4673 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 -4.8249 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 -5.8990 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2204 -5.3431 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -6.3644 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0636 -7.8762 -0.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7889 -7.8035 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 -7.8815 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -6.4473 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 -6.6932 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -5.1748 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -5.2535 -1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 -6.7387 -2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -5.4331 -3.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1265 -3.9600 -2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 -5.5787 -4.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4403 -4.1559 -3.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -4.1750 -5.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 -2.0590 -6.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 -2.4185 -3.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3436 -1.5071 -5.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5809 0.0831 -4.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1702 -0.8009 -3.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.4673 -4.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5778 -0.4886 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4611 1.9957 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 2.1556 -3.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 0.3706 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 0.8324 -2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 2.0295 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 3.0803 -1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6337 2.3960 0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 3.4192 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 4.8629 0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 3.8958 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 4.9088 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 -1.8844 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 -1.5692 1.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 -5.8214 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 -2.3610 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 -3.9754 2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7358 -2.2008 3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7398 -2.6928 4.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -0.8038 3.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 0.9630 2.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 -0.4320 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 -0.2910 1.5895 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 22 85 1 0 22 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 49126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END