HMDB0251574 RDKit 3D Heptaethylene glycol monododecyl ether 88 87 0 0 0 0 0 0 0 0999 V2000 11.9278 -0.7395 -1.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3976 0.6343 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9888 0.8717 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5333 0.3796 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5309 -1.0789 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6148 -1.8423 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1709 -1.4046 -0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 -1.6247 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 -1.1903 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 0.2827 0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 0.6521 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3324 2.1026 0.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 2.6149 0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9981 2.3225 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 0.9519 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 0.8614 1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 -0.3564 2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5484 -0.6452 1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 0.3271 1.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 0.2054 1.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3847 -1.0473 1.7263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5983 -1.2504 1.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9638 -1.3818 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9276 -0.3123 -1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6752 0.7964 -0.8492 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4767 1.6154 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4822 2.7460 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7175 2.4473 0.3159 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7093 1.8492 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7470 0.3719 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0315 0.0795 -1.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0599 -1.2906 -1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3855 -1.6541 -1.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5553 -0.9392 -3.1418 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5009 -1.1136 -0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7076 -0.7436 -2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1312 -1.4480 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0566 1.2133 -0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6446 1.1755 -2.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 1.9956 -1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2763 0.4910 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1461 0.8335 0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5187 0.8400 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -1.4967 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1768 -1.3389 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8535 -1.6735 -1.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 -2.9103 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0589 -0.3681 -0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5736 -2.0493 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2111 -0.9896 1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7325 -2.6570 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8157 -1.4384 2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -1.7505 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6301 0.9067 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 0.4596 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0724 0.0350 0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 0.3039 1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0601 2.7332 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 2.2234 -0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 2.3066 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 3.0763 0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 1.0005 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 0.1063 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5271 -1.1649 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4321 -0.3222 3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 -1.6673 1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4885 -0.6935 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2161 1.1116 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 0.3774 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4891 -1.0626 2.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7438 -1.9648 1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0019 -1.8782 -0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3518 -2.2768 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3903 -0.8057 -1.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9195 -0.0439 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4473 2.1219 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5243 1.1537 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1557 3.3962 1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2440 3.3683 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0468 2.3803 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6436 1.9951 0.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6489 -0.2399 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0638 0.0282 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2709 -1.6133 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9754 -1.7912 -0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4501 -2.7433 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1742 -1.3032 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1606 -1.4394 -3.7402 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 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 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 9 53 1 0 10 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 17 64 1 0 17 65 1 0 18 66 1 0 18 67 1 0 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 23 72 1 0 23 73 1 0 24 74 1 0 24 75 1 0 26 76 1 0 26 77 1 0 27 78 1 0 27 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 M END