HMDB0049411 RDKit 3D TG(18:1(11Z)/18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -2.1638 0.9917 -4.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 0.9113 -4.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0812 0.1105 -5.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5442 -0.0238 -5.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1692 -0.7632 -4.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5327 -2.0867 -4.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9785 -2.5493 -3.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9072 -1.8368 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6661 -2.7751 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1147 -3.2998 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7181 -3.0591 0.5155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9948 -4.3403 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4702 -5.0904 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -4.7646 2.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -4.6303 3.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 -3.4902 2.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 -2.1517 3.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -1.0631 2.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -1.2267 2.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 0.2250 3.5136 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 1.2926 3.1374 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7521 1.5772 4.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 1.9699 5.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 3.0777 5.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6131 4.0241 5.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4225 3.3254 7.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 4.1151 8.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 5.5222 7.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4119 6.1771 8.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6047 6.6648 8.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 6.6442 7.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6943 5.9248 7.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 4.8829 7.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3866 4.2164 5.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0733 2.8034 6.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 1.8615 5.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 2.1595 4.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0416 1.6739 3.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0735 2.0317 1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6734 1.5719 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 0.1019 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 -0.4994 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9553 -0.0716 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 1.3518 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 2.4452 2.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 1.9313 1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 2.7100 0.6235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 3.9351 0.9372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 2.1394 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 0.6840 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 0.4166 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -1.0942 -1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 -1.3008 -1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 -2.6915 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1976 -3.4990 -2.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 -2.9430 -3.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 -3.9155 -5.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 -4.2382 -4.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -4.0478 -5.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2694 -3.4392 -7.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 -4.3413 -8.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -4.8582 -8.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9738 -3.7581 -8.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 -4.2851 -8.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8132 -5.1477 -7.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 1.9324 -3.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 0.1021 -3.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8281 0.9687 -5.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0614 1.9710 -4.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 0.5302 -3.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6531 -0.9254 -5.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5927 0.5515 -6.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7381 -0.6474 -6.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0548 0.9613 -5.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2671 -0.9020 -4.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9574 -0.1604 -3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5124 -2.7370 -5.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 -3.5516 -3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4585 -0.9110 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 -1.7597 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7065 -2.9962 -1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6846 -3.9960 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8063 -2.8273 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 -2.2148 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -4.7133 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 -6.0384 0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 -5.7222 3.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2104 -3.9584 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6066 -5.5710 3.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -4.7150 4.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -3.4246 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 -3.5162 3.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 -2.0480 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -2.1875 4.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3593 0.8396 2.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 2.2565 3.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3606 0.6248 4.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 3.8909 7.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1402 2.3943 7.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 3.6328 8.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 4.2338 9.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0363 5.5565 6.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 6.1148 7.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 6.2620 9.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 7.1479 9.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 7.7251 7.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 6.3290 6.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 6.3487 8.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0884 4.4767 7.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 4.4607 4.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3559 4.7084 5.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3908 2.5545 7.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3861 0.7940 5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4336 1.4511 4.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0044 3.1291 4.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 2.1056 2.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9571 0.5720 3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0665 1.6213 2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1059 3.1391 1.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4013 1.9145 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6829 2.0404 0.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7021 -0.2546 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4386 -0.4272 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 -1.6299 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0903 -0.2464 -1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0798 -0.2943 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7719 -0.7248 -2.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8259 1.8816 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 1.3935 -3.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 1.9496 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 3.2792 2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7604 2.8808 3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 2.2497 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 2.6749 -1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5217 0.1748 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 0.2082 0.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 0.8217 -2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2761 0.8569 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5034 -1.6547 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7234 -1.4270 -1.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8232 -0.8596 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.6442 -2.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -3.2656 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -2.7554 -1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -3.7053 -2.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 -4.4964 -2.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5023 -2.8815 -4.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -1.9721 -4.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 -3.6444 -6.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 -4.9001 -4.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8763 -4.7061 -3.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5556 -4.3485 -5.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 -2.5085 -7.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -3.1310 -7.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 -5.2418 -8.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3462 -3.8258 -9.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1712 -5.5553 -7.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0569 -5.4456 -9.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -3.1197 -7.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6941 -3.1071 -9.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4680 -4.8726 -9.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 -3.3955 -8.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1304 -4.5925 -6.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7273 -5.6968 -7.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -5.9530 -7.1336 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 6 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END