HMDB0038523 RDKit 3D Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate 68 68 0 0 0 0 0 0 0 0999 V2000 7.4526 1.4163 -1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8467 0.1737 -2.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4963 -1.0967 -1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6753 -1.4896 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5273 -1.6578 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7187 -0.4453 0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 -0.8244 1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -0.7023 1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 -0.1467 0.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 1.0898 0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 0.8902 1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 -0.1237 0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 -0.3217 1.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 0.9328 1.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7119 1.4989 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6272 0.5452 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 0.1467 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7312 -0.7786 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5918 -2.1606 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 -3.0764 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2968 -2.5857 -1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4385 -1.2318 -1.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3862 -0.7411 -2.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6495 -0.2880 -0.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8783 1.1002 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7679 1.4466 -1.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1777 2.1223 -0.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4484 3.4864 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 2.0813 -2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6196 1.9766 -1.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1989 1.2206 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 0.1115 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0916 0.2751 -3.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8867 -1.9163 -2.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4776 -1.1745 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2055 -2.5123 -0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4338 -0.8309 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -2.1412 1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 -2.4670 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4127 0.0974 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 0.2513 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9512 -1.2502 2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 -1.0342 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 0.0029 -0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 -0.9412 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 1.4046 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 1.9316 0.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3143 1.8767 1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 0.6102 2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3318 -1.1172 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5434 0.1678 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 -1.1515 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9548 -0.6455 2.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 0.7706 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 1.6859 2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1908 2.4775 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 1.7303 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 0.9722 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0314 -0.4055 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3676 -0.4769 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3297 0.9847 1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8587 -2.5231 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2916 -4.1455 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -3.2776 -1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9919 -1.3353 -2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9488 4.1045 -0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0544 3.7483 -1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5332 3.6861 -0.7136 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 2 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 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 24 18 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 19 62 1 0 20 63 1 0 21 64 1 0 23 65 1 0 28 66 1 0 28 67 1 0 28 68 1 0 M END