HMDB0042234 RDKit 3D TG(14:0/22:0/18:3(9Z,12Z,15Z)) 167166 0 0 0 0 0 0 0 0999 V2000 0.2384 -3.5000 -3.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 -4.6996 -4.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 -4.2711 -5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8663 -4.8628 -6.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.0637 -6.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 -6.8957 -5.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5994 -7.2018 -5.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -6.8066 -6.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0141 -5.9908 -7.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5044 -4.7812 -7.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0368 -4.0142 -6.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -3.6915 -6.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 -2.9257 -5.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3674 -1.6573 -5.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0627 -0.8260 -4.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2873 0.4421 -3.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9353 0.1623 -3.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 1.4405 -3.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6309 2.5603 -3.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 1.3911 -2.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1245 2.4838 -2.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 2.0300 -1.3661 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3407 1.4763 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 2.6085 0.8024 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 2.4538 2.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 1.3081 2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4338 3.6512 2.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9846 3.2136 4.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 4.3808 5.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2348 5.3653 4.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4837 6.5078 5.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 7.3012 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5895 7.9159 4.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 8.7445 5.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 8.0067 5.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2808 6.9170 5.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 6.2508 5.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 5.1643 5.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 4.1158 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0713 2.9723 -1.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 2.6439 -1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 1.4470 -1.6391 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 3.6234 -0.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 3.1447 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3558 1.9690 -0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5880 1.7561 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4059 0.5969 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7856 -0.7609 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -0.9973 1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0443 -2.3842 1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7278 -2.6871 0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -4.1731 1.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4638 -4.6741 2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3795 -4.2263 3.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 -4.7645 2.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8942 -4.5085 3.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -3.0837 3.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6279 -2.9522 4.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 -3.6669 4.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 -3.2460 3.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8547 -1.7970 3.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 -1.3587 1.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5844 -1.5350 0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -2.5739 -3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 -3.5278 -4.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -3.7352 -2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 -5.5201 -4.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 -4.7587 -3.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 -3.3180 -5.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1706 -4.3611 -7.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7603 -6.6947 -7.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7364 -5.7929 -7.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4174 -7.4152 -5.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6645 -7.9086 -4.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4868 -7.7779 -6.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5006 -6.3418 -5.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7107 -6.4386 -8.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5151 -4.3095 -8.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5047 -3.0005 -6.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8608 -4.4315 -5.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4204 -3.0899 -7.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 -4.6193 -6.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2098 -2.7065 -5.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1531 -3.5229 -4.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3594 -1.9926 -4.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 -1.0788 -6.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1566 -1.4455 -3.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0823 -0.5841 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8609 1.0510 -3.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2511 1.0105 -4.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 -0.4710 -3.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9485 -0.3902 -2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8567 2.9907 -3.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7316 3.2006 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 1.0980 -1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 0.9263 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2309 0.8320 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 4.2732 3.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 4.2919 2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 2.6277 4.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.5625 4.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2926 4.8413 5.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 3.9247 6.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9044 5.7410 3.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2134 4.8575 4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 6.0951 6.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 7.1864 5.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5488 8.1312 6.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5151 6.6423 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 7.1214 3.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 8.6082 4.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 9.2919 4.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 9.5544 5.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 8.7287 6.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2252 7.5794 6.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7357 7.3305 4.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 6.2054 4.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 5.8364 6.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1377 6.9847 6.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4957 5.6286 4.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8432 4.6883 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8396 4.2140 3.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4086 3.0749 4.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 4.2060 5.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 4.4542 -0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7538 4.1289 -1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 2.9240 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 3.9830 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 2.1771 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 1.0310 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2316 2.6764 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 1.6308 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3648 0.6434 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7664 0.7218 -1.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 -0.7811 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4765 -1.5052 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7323 -0.2657 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4239 -0.7766 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 -2.5462 2.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 -3.1242 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7926 -2.5085 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 -2.0930 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2519 -4.6717 0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -4.3957 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4943 -5.8325 2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4367 -4.4150 2.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -3.1136 3.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 -4.6398 4.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -5.8730 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9045 -4.4233 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 -5.1059 3.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -4.9996 4.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 -2.5733 3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -2.5941 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -1.8795 5.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3524 -3.3249 5.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 -3.4274 5.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 -4.7817 4.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 -3.8430 3.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7254 -3.3481 2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 -1.1994 3.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5974 -1.5920 4.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 -0.2831 2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 -1.8985 1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5422 -1.2310 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 -2.5646 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.8622 -0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 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 1 0 25 26 2 0 25 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 36 37 1 0 37 38 1 0 38 39 1 0 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 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 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 39124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 63167 1 0 M END