HMDB0032664 RDKit 3D Corchorifatty acid A 50 49 0 0 0 0 0 0 0 0999 V2000 9.2511 -0.0841 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7814 0.1109 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -0.9212 -0.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2103 -1.7857 -0.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0247 -1.0161 -0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0469 -0.1880 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -0.2934 -1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 0.5008 -0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 0.3649 -1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.1956 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 1.0704 -1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 1.3616 -2.9241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 -0.2768 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 -0.5853 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 0.4074 0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9786 0.5332 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7814 -0.7271 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2054 -0.5132 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9035 0.5591 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9544 0.1049 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4603 -1.0124 2.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4259 0.9557 3.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4039 -0.9326 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6300 0.8280 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8020 -0.3094 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1398 0.0269 1.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5927 1.1323 0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7445 -1.7822 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2768 0.5873 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 -1.0954 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 1.2966 -0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1717 -0.4190 -2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 1.9848 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 1.8481 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 0.6803 -3.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 -1.0322 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -0.3326 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 -0.5476 0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1033 -1.6045 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 0.1474 1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 1.4150 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 1.0120 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4745 1.2806 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8106 -1.1051 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 -1.4522 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7562 -1.4518 0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1434 -0.3176 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 1.5128 0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9391 0.6173 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5981 0.6670 4.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 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 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 22 50 1 0 M END