HMDB0038530 RDKit 3D 5-Heptadecyl-1,3-benzenediol 65 65 0 0 0 0 0 0 0 0999 V2000 7.6335 1.2382 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4774 -0.1568 1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5111 -1.2316 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5126 -1.2820 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 -1.4543 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3244 -0.4536 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2268 0.9141 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4225 1.7895 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 1.3078 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 1.2107 -0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1925 0.7199 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 0.6346 -1.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 0.1737 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -1.1706 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -1.8162 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6718 -2.1756 -0.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4073 -1.2113 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2568 -0.2978 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5061 -0.7517 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3905 0.0160 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6418 -0.4792 0.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0439 1.2856 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8118 1.7610 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 3.0508 0.5888 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9226 0.9743 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5399 1.2384 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 1.8481 1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5805 1.7070 1.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 -0.3219 2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6613 -0.1714 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 -2.2067 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5453 -1.1565 0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7186 -0.4373 -1.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7999 -2.1842 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0089 -2.4265 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 -1.7369 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 -0.4257 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 -0.8243 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 0.8133 -1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 1.4110 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3172 2.8081 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 1.9811 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 2.1038 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0401 0.3411 1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 0.4639 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 2.1943 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 1.4135 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0577 -0.2622 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 1.5911 -1.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 -0.1325 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0459 0.3010 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 0.9615 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -1.9127 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 -1.1724 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4127 -2.7630 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1698 -1.1952 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4823 -2.8241 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -2.9651 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8552 -0.6965 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1553 -1.8668 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7966 -1.7657 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8694 -1.4171 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7342 1.9103 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7065 3.8004 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 1.3814 -0.8031 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 18 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 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 19 61 1 0 21 62 1 0 22 63 1 0 24 64 1 0 25 65 1 0 M END