HMDB0035477 RDKit 3D Tridecyl phloretate 61 61 0 0 0 0 0 0 0 0999 V2000 -7.3055 1.8586 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9925 2.6463 0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 1.6275 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 0.7981 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8611 -0.2058 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -1.0670 -1.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 -2.0526 -1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6521 -3.1255 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 -2.8853 0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 -2.0832 0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 -2.4638 0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 -2.4091 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.7972 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -1.9405 -0.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9079 -0.6005 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2068 -0.0392 -1.3902 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 0.2813 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 0.4837 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0062 1.3579 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 0.7699 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 1.5897 1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7407 2.9641 1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6226 3.7814 2.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 3.5009 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 2.7221 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6076 1.6468 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1152 0.8733 1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0867 2.4119 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9547 3.2681 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8731 3.2282 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 2.1352 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8961 0.9750 1.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9845 0.2784 -0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9605 1.4824 -1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 -0.7556 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 0.3876 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 -1.5469 -1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8595 -0.3885 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8695 -1.4574 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9525 -2.5395 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 -3.9607 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 -3.6908 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1172 -3.9778 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2991 -2.6893 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 -2.0061 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4311 -0.9765 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3896 -3.4908 1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -1.8063 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 -2.9905 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -1.3333 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1774 -2.6982 -2.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -3.8569 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 1.2478 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1236 -0.1562 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7498 0.9423 -1.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5209 -0.5379 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0094 -0.3161 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5555 1.1457 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5359 4.7817 2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 4.5771 0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 3.1326 -0.6765 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 19 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 20 57 1 0 21 58 1 0 23 59 1 0 24 60 1 0 25 61 1 0 M END