HMDB0032494 RDKit 3D Propylene glycol mono- and diesters of fats and fatty acids 98 97 0 0 0 0 0 0 0 0999 V2000 -12.3569 1.6125 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9961 0.2152 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7444 -0.2740 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4922 -1.6674 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2981 -2.3319 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0203 -1.5695 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8340 -2.2395 -0.2932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8571 -2.4320 -1.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 -1.2659 -2.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0848 -0.1422 -2.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9344 0.7391 -1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8876 1.8315 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 1.2178 -1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 0.3786 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -0.2081 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 -1.1441 -2.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.2599 -0.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.3568 -0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 0.7279 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 -0.9475 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 -0.0997 1.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5813 0.8137 1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 0.9697 0.5918 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.6284 2.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 2.3700 2.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 1.3749 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4377 1.9825 3.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4159 0.8535 3.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4609 -0.0944 2.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8627 0.4956 0.8009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 -0.5760 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 -0.0465 -1.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6782 0.4718 -1.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6216 -0.6422 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0648 -0.1619 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9160 -1.3673 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5878 1.5750 -0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4594 2.2458 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2318 1.9337 1.0777 H 0 0 0 0 0 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0 0 -4.8766 2.5402 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1932 2.3614 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4822 0.6900 -2.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 2.0889 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9098 0.9720 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7185 -0.4736 -0.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 -1.1705 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5429 0.4115 -1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 1.0141 -2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 1.6866 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5873 -1.7439 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -1.5470 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 2.3063 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.9439 3.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9557 3.0481 3.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 2.9435 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8938 0.7495 3.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0690 0.7052 2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6718 2.7307 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4325 2.5061 4.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4394 1.2356 3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1321 0.2891 4.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2638 -0.8516 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 -0.7191 2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8835 0.8849 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 1.2959 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8049 -0.9987 -0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4756 -1.4056 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1801 -0.8125 -2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5695 0.7808 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7587 1.3368 -0.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9367 0.8427 -2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4039 -0.9094 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4929 -1.5420 -1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1374 0.6023 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3954 0.2302 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5649 -1.6135 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2932 -2.2792 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5178 -1.1528 0.1276 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 34 35 1 0 35 36 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 7 51 1 0 8 52 1 0 8 53 1 0 9 54 1 0 9 55 1 0 10 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 24 72 1 0 24 73 1 0 25 74 1 0 25 75 1 0 26 76 1 0 26 77 1 0 27 78 1 0 27 79 1 0 28 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 36 98 1 0 M END