HMDB0256092 RDKit 3D Palmoxiric acid 52 52 0 0 0 0 0 0 0 0999 V2000 7.5501 -0.6570 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -1.5327 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5999 -0.8498 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6726 -0.4684 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4619 0.2220 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5165 0.6169 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 1.3077 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 0.3927 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 1.0636 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 1.4648 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0258 0.2395 -0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9791 0.5655 -1.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 1.1842 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2549 0.5569 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9779 -0.6736 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 -1.9502 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 -2.8988 -1.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0176 -2.2572 -0.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3505 -0.5470 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -0.9236 0.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6252 0.3637 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 -0.6306 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5661 -1.0887 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 -2.4681 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4815 -1.8056 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 -1.5561 1.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 0.0413 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 -1.3917 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1586 0.1732 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0483 -0.5176 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 1.0964 1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 1.3167 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 -0.2537 -1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 2.2827 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6189 1.4685 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 -0.5571 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 0.1069 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 1.9223 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 0.3608 2.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 1.9282 0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 2.2406 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 -0.2498 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -0.4577 0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4478 1.3068 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1106 -0.3112 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 1.4094 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 2.2547 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0253 1.3677 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7977 0.3743 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 -2.6776 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8468 0.4221 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7353 -1.3265 -1.8511 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 2 0 16 18 1 0 15 19 1 0 19 20 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 M END