HMDB0304091 RDKit 3D 22-hydroxydocosanoate 68 67 0 0 0 0 0 0 0 0999 V2000 -9.8015 0.0749 0.9853 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9704 -0.0450 1.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0030 -1.2082 2.6685 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.9690 0.9898 2.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6969 0.6735 1.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0674 0.7107 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 0.4958 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3121 -0.7840 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -1.2924 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4143 -0.3719 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -0.1205 -0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3603 0.7978 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3757 1.0883 -1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 -0.1641 -1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -0.8774 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 -0.0153 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7389 -0.7514 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -2.0219 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 -1.7774 -0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 -0.8952 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4424 -0.6974 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5909 0.1409 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0872 1.4928 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3124 2.2978 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9463 3.5576 0.6903 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6857 1.0042 3.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2955 1.9925 1.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3365 -0.3226 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9284 1.4554 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6535 1.6579 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8568 -0.0941 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5288 0.7295 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2337 1.3338 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6841 -0.7937 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0741 -1.6065 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 -1.8035 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 -2.1714 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8367 -0.8605 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8032 0.5705 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9597 0.3758 -1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -1.0980 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 1.8007 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 0.3882 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 1.6042 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 1.8442 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -0.8586 -2.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 0.0641 -2.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2601 -1.1902 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 -1.8044 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6157 0.9438 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 0.2762 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 -0.9718 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 -0.0633 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5785 -2.7346 0.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 -2.5666 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -1.3406 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 -2.7823 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 0.0669 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9111 -1.4224 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 -1.6774 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9577 -0.1214 -1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 0.2304 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1064 -0.3716 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5303 1.9602 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4139 1.4267 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8130 1.7048 1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9869 2.3307 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6209 3.9244 1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 25 68 1 0 M CHG 1 3 -1 M END