HMDB0099174 RDKit 3D TG(14:0/8:0/10:0) 107106 0 0 0 0 0 0 0 0999 V2000 0.5637 -3.8484 -6.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9575 -4.3020 -6.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7778 -3.0597 -6.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 -2.1556 -7.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 -0.8873 -7.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9952 -0.1141 -6.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 1.1969 -5.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 1.8473 -4.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 3.1576 -4.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 3.8417 -3.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 3.4360 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 2.0970 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 1.0971 -1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -0.2172 -0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4808 -1.1296 -0.6625 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -0.4006 -0.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -1.6228 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.7815 0.7749 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1471 -0.7228 1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 -0.5755 2.9404 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -0.2047 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7989 0.1301 2.6483 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 -0.1783 4.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8664 -0.1491 5.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 1.1016 5.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2157 1.1075 6.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 2.3354 5.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 2.4610 4.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2268 3.7180 4.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 3.8772 2.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4207 5.1231 2.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2961 -1.6574 -0.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0013 -2.7585 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8316 -3.8490 -0.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 -2.7717 -1.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 -2.0004 -1.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 -2.3225 -0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -2.0966 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9606 -2.4971 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5655 -2.2635 2.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2251 -0.8052 3.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 -3.4312 -7.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2175 -3.0780 -6.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -4.7039 -6.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 -4.8763 -7.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 -4.9094 -5.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2018 -2.5632 -5.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 -3.3868 -5.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8005 -1.8576 -7.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -2.7464 -8.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -0.2753 -8.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7096 -1.0870 -6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -0.6833 -5.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 0.1815 -6.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 1.0456 -5.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 1.8261 -6.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7074 1.2080 -3.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.0969 -5.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 3.8158 -5.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 3.0498 -3.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2519 4.9519 -3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 4.0181 -3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 3.8185 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3859 4.1124 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9219 1.6198 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 2.1978 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3962 0.9728 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9371 1.4169 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -1.8971 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2237 -2.3884 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 -2.8214 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 -0.8216 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2990 0.2622 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -1.0457 5.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 0.7438 5.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2836 -1.0480 5.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 -0.2178 6.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 2.0175 5.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1613 1.0951 4.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 0.2311 5.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 0.9518 7.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9444 2.3527 6.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4467 3.2344 6.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 2.4592 3.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 1.5984 4.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 4.5742 4.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 3.6635 4.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1930 2.9965 2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 3.9182 2.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5459 5.3946 1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4360 4.9791 2.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9749 5.9944 3.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -3.8494 -2.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 -2.4912 -2.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 -2.1431 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 -0.8793 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0844 -1.7314 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4686 -3.3996 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8976 -2.6730 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.9988 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8812 -1.9561 1.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 -3.6028 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 -2.6448 3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 -2.8297 3.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 -0.5836 2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2146 -0.6522 4.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9788 -0.1433 2.6118 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 2 0 14 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 2 0 21 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 18 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 10 62 1 0 11 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 13 68 1 0 17 69 1 0 17 70 1 0 18 71 1 1 19 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 27 82 1 0 27 83 1 0 28 84 1 0 28 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 31 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 41107 1 0 M END