HMDB0255480 RDKit 3D 12-[Methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octadecanoic acid 74 75 0 0 0 0 0 0 0 0999 V2000 -3.2668 -5.5876 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -4.0937 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 -3.4161 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -1.9399 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 -1.4178 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 0.0744 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 0.7896 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7407 0.5164 1.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6041 1.0910 2.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6854 0.5815 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 1.2718 1.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 0.8746 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9748 1.2024 -0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 0.8852 -1.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5676 -0.4583 -2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 -1.3546 -0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5774 -2.6288 -1.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0819 -3.6015 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2978 -3.9168 0.2078 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 -4.2078 -0.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6699 2.1973 0.2211 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6134 3.1812 0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 2.7020 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6404 3.2768 1.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9246 3.7624 1.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6288 3.7044 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9572 4.2041 -0.2127 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3503 5.1132 0.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8306 3.6867 -1.1272 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.9834 3.1369 -1.2186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3678 2.9462 -2.4831 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 2.3820 -3.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 2.1796 -2.3636 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 2.6484 -1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7474 -5.8364 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8767 -6.1628 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3434 -5.8640 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -3.7917 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 -3.8782 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0242 -3.8527 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5058 -3.6758 1.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4767 -1.6762 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6119 -1.4070 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2055 -1.7192 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0459 -1.8122 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 0.2098 -0.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 0.4991 1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7743 0.4285 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 -0.5910 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 0.9133 2.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 0.6549 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 2.1692 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 -0.5299 1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 0.7109 0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 1.0749 2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 2.3724 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0421 1.4931 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -0.1566 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8124 2.3358 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 0.8267 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9785 1.5625 -1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8396 1.3495 -2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 -0.3379 -2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8488 -1.0661 -2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8832 -0.9659 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3023 -1.8196 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7463 -3.0530 -2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3847 -2.3518 -2.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 -3.9653 -0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 2.8242 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 3.9433 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 3.8255 1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0815 3.3233 2.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4338 4.2111 1.9135 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 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 7 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 26 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 23 1 0 34 30 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 10 54 1 0 11 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 17 67 1 0 17 68 1 0 20 69 1 0 22 70 1 0 22 71 1 0 22 72 1 0 24 73 1 0 25 74 1 0 M CHG 2 27 1 29 -1 M END