HMDB0031068 RDKit 3D Isopalmitic acid 50 49 0 0 0 0 0 0 0 0999 V2000 5.5790 2.4748 0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1171 1.1104 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.0456 0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 0.7476 0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3857 -0.5973 0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -0.6870 -1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 0.2483 -1.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -0.0265 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 -1.4085 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 -1.6592 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.7310 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 -1.1300 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5808 -0.2764 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7153 -0.7890 0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9797 0.0111 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7143 1.4319 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6768 1.8303 1.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5061 2.3172 -0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 2.6637 0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 3.2182 0.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6056 2.5398 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9915 1.1766 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 -0.4350 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1820 0.4277 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0424 -0.7424 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1048 1.5550 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 0.7040 2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5485 -0.9981 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 -1.3068 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 -0.4895 -1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8212 -1.7180 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 0.0043 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.3146 -1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 0.1189 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0165 0.7089 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -2.1483 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1837 -1.6512 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 -1.5512 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -2.7246 -0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -0.8861 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9036 0.3202 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 -2.2051 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -0.9928 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8544 -0.2918 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 0.7680 0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9426 -1.8484 0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4571 -0.7143 1.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7501 -0.4087 1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3309 -0.1456 -0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6194 2.8259 -0.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 18 50 1 0 M END