HMDB0037397 RDKit 3D 17-Methyloctadecanoic acid 59 58 0 0 0 0 0 0 0 0999 V2000 -4.9320 -1.5586 -2.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6193 -1.1619 -1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9332 -1.9846 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9155 0.2788 -0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 1.2589 -1.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 1.3367 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7983 0.1948 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 0.6026 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7696 -0.5506 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3064 -0.2005 2.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0824 0.9833 1.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 1.3264 2.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 0.2482 2.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.1606 1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 1.0319 1.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3912 0.7371 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 0.2564 -1.2432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3828 -0.0087 -2.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 -1.0393 -2.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5118 -0.7906 -1.6556 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -2.3429 -2.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 -0.9439 -2.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 -1.5047 -3.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 -2.6102 -2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 -1.5205 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6927 -3.0571 -0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4945 -1.9010 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5207 -1.6636 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7198 0.5930 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4410 0.4588 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 2.2883 -1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4038 1.2633 -2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 1.7167 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 2.2248 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 -0.1476 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -0.6723 0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2179 0.7901 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 1.5028 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.7991 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 -1.4597 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 -1.0544 2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 0.0496 3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 1.9091 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 0.8485 0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6047 2.3004 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 1.5018 3.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 0.6846 3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 -0.6282 3.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -0.5486 0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6466 -0.9217 1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 1.3532 1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 1.8650 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2438 0.0566 0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 1.6942 -0.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 -0.7122 -0.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 1.0250 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 0.9175 -2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 -0.3460 -3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 -3.0093 -2.7249 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 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 M END