HMDB0039868 RDKit 3D 5-(12-Heneicosenyl)-1,3-benzenediol 75 75 0 0 0 0 0 0 0 0999 V2000 11.3660 1.9516 -0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7094 0.6295 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5779 0.3246 -0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0095 -1.0111 -0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8787 -1.4725 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7309 -0.4957 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 -1.0000 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 0.0317 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 0.2369 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 0.0203 -0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7257 -0.4713 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5828 0.5229 0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 0.0308 1.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -1.2795 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 -1.2294 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 -0.2080 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -0.2281 -1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7041 0.7465 -1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 0.4378 -0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3134 -0.9396 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3584 -1.1797 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4465 -0.1806 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5474 -0.4325 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5792 0.4686 -0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6557 0.1786 -1.5712 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5651 1.6647 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4934 1.9376 0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4770 3.1413 1.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4681 1.0252 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9358 2.2587 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1294 1.8254 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6479 2.7180 -0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3322 0.5749 -2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -0.2051 -0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8514 1.1345 -0.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0003 0.1910 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7024 -0.9447 -1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8449 -1.7521 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1796 -1.6725 1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 -2.4294 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 0.4895 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 -0.4465 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -1.1395 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 -1.9477 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9761 1.0137 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 -0.2002 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6531 0.6083 -1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.2061 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -1.3628 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 -0.8750 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 1.4925 0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 0.7108 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 0.8231 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1259 -0.1444 2.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2686 -2.0467 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 -1.5744 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1677 -2.2445 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 -0.9202 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5934 -0.5116 0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5432 0.8053 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 -1.2395 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8237 -0.0000 -2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1116 0.6585 -2.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 1.7708 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3485 0.5004 0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 1.2283 -0.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -1.6747 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6924 -1.1060 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 -1.0894 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7759 -2.2029 0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5246 -1.3841 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6962 -0.6870 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3992 2.3474 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0477 3.9540 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6411 1.2688 1.5436 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 2 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 23 71 1 0 25 72 1 0 26 73 1 0 28 74 1 0 29 75 1 0 M END