HMDB0290148 RDKit 3D Cer(t18:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 113113 0 0 0 0 0 0 0 0999 V2000 -15.1419 1.6307 3.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7664 1.6055 1.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8581 1.3244 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2035 -0.0306 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2882 -0.2478 -0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2201 0.7306 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9310 0.4501 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4361 -0.9309 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5016 -1.2098 0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1367 -2.5948 0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1384 -1.6938 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3018 -1.5102 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0753 -0.0714 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9862 0.6224 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 0.1607 -1.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3787 -1.2488 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 -1.9102 -0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -1.4443 1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.8563 1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6017 -1.4462 0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3412 0.0453 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3691 0.7315 0.6773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 0.4086 1.0714 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 0.8022 1.3828 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9593 -0.1329 2.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0654 -1.3928 1.8681 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 1.0253 0.1752 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3440 1.3051 0.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 0.0868 -0.9175 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3191 -1.2468 -0.5667 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 0.4016 -2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8609 0.4456 -2.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9901 1.0667 -1.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 0.1644 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3184 -1.0371 -1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 -0.6591 -2.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4829 0.1035 -1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6471 0.5055 -2.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6891 1.2819 -1.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1837 0.3782 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1976 1.1332 0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6711 0.1994 1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 -0.3105 2.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8003 0.7952 2.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4512 0.8079 3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9852 1.6273 3.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5802 2.5674 3.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5333 0.7738 1.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3234 2.5580 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0402 2.1062 0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4764 1.3782 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6979 -0.1126 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9898 -0.8089 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0042 -0.0317 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0677 -1.2991 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5110 1.8230 -0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2104 1.3057 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8533 -1.0825 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2288 -1.6834 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8381 -0.8376 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5017 -1.6389 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8637 -1.9486 -1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4484 -2.1634 -0.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0178 0.5518 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1303 1.7533 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1288 0.7208 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1177 0.6221 -1.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 -1.8469 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7218 -3.0275 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 -1.9499 1.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -0.3657 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 -3.0087 1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -1.6204 2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -1.9976 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -1.5684 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 1.7338 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 1.8533 1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 -0.0012 3.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 0.2703 2.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3097 -1.9542 2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8094 2.0575 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2088 2.0333 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 -0.0358 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 -1.9104 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9262 1.3686 -2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9492 -0.3336 -3.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9068 0.8761 -3.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 -0.6752 -2.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6642 1.9844 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 1.4375 -2.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8383 -0.3014 -0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3093 0.7193 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -1.7423 -1.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8019 -1.5757 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 0.0066 -3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8526 -1.6045 -2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 1.0155 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7479 -0.6290 -0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1311 -0.4146 -2.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2760 1.1440 -3.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5253 1.4687 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1820 2.1805 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5596 -0.5471 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3491 0.1281 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7702 2.0845 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0683 1.4291 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1743 -0.6547 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4584 0.6976 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0274 -0.9850 2.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8993 -1.0073 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4668 1.7031 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8651 1.0514 2.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5100 0.5737 3.9049 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 24 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 11 9 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 23 76 1 0 24 77 1 1 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 6 28 82 1 0 29 83 1 6 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 44113 1 0 M END