HMDB0007386 RDKit 3D DG(20:1(11Z)/14:1(9Z)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 -11.4346 -0.2725 -4.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2448 -1.0591 -3.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0432 -0.1203 -3.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8224 -0.8848 -3.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6395 -0.0279 -3.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9949 0.2479 -2.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4187 -0.2915 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8009 0.7817 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2955 0.2010 1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1918 -0.6630 2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 -1.2396 3.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1597 -2.1574 4.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -1.7503 4.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 -1.3917 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -0.9025 4.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5257 -1.4823 2.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 -1.0456 2.3326 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7389 -2.2871 1.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 -3.3146 2.6309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 0.1394 1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5741 0.8649 0.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 0.7123 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -0.4028 -0.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2671 1.8424 -0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1351 2.9108 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5026 2.4314 1.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 1.9608 2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9068 3.0988 1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 2.5623 1.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3387 3.6281 1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3031 4.3309 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5679 3.5531 -0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 2.4265 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 1.2055 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6253 0.8388 -1.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 -0.2002 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2354 -0.5405 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0327 -1.0815 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4660 -2.3505 -1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2007 -2.9123 -2.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -3.2797 -2.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 -2.2302 -2.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3785 -0.7383 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4809 -0.2445 -5.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3921 0.7876 -3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0705 -1.9073 -4.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4738 -1.3856 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3129 0.7276 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8466 0.2626 -4.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6489 -1.7021 -4.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1401 -1.3959 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2935 0.3919 -4.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 0.9070 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1152 -1.1253 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4630 -0.7385 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5925 1.4012 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 1.4416 0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4466 1.0523 2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1699 -0.4491 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 0.1181 2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8221 -1.4293 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3204 -0.4257 3.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7616 -1.8093 2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9414 -3.1341 3.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8926 -2.5941 4.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6666 -2.5566 5.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2356 -0.8992 5.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6401 -0.7527 3.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4867 -2.6180 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -2.2232 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6367 -3.3049 3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3607 -0.1971 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 0.8660 2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 1.5211 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 2.2996 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 3.2645 0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 3.7929 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 1.6480 2.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4835 3.3200 2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1412 1.5054 3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 1.1155 1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6692 3.4463 0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 3.8894 2.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 1.6401 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 2.2538 2.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 4.4093 2.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3365 3.1636 1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3553 4.9272 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0925 5.1497 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 4.3161 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 3.3842 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 2.5561 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 0.4086 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8589 0.2481 -2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3591 1.6198 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -1.1076 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4183 0.2821 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8202 0.3225 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 -1.3084 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1984 -0.3241 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0574 -1.2672 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3987 -2.1484 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3214 -3.1087 -0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1295 -2.2075 -3.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6486 -3.8280 -3.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9253 -3.8065 -3.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 -4.0820 -1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5337 -2.4590 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0139 -2.2321 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2772 -1.2227 -2.6018 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 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 2 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 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 7 55 1 0 8 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 13 67 1 0 17 68 1 1 18 69 1 0 18 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 0 25 77 1 0 26 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 42110 1 0 M END