HMDB0037647 RDKit 3D (E)-11-Hexadecenoic acid 48 47 0 0 0 0 0 0 0 0999 V2000 -8.3208 0.0195 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4449 -0.1381 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0122 -0.2370 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -0.3980 -1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6844 -0.4914 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 0.3821 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 0.2713 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4726 0.1066 -1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -0.0212 -1.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4403 1.1808 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.0596 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -0.1233 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5222 -0.3198 1.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -0.5160 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 -0.7299 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 0.4314 1.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7664 1.4585 1.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7844 0.3952 1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3535 1.1008 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9147 -0.5107 1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3216 -0.3938 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7441 -1.0340 -0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4973 0.7689 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8680 -1.0699 0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7634 0.6920 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1979 0.4203 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3961 -1.3418 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3929 -1.2780 0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 1.1959 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0895 1.1452 0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -0.6156 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 1.0312 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8117 -0.7289 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 -0.1500 -2.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.9098 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8954 1.4025 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3048 2.0657 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 1.9731 0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5300 1.0622 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4103 -0.0203 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8513 -1.0792 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5101 -1.2623 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 0.4716 2.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3510 0.3615 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 -1.4109 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -0.8671 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -1.6411 1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9080 0.6572 2.6881 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 2 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 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 18 48 1 0 M END