HMDB0052479 RDKit 3D TG(18:2(9Z,12Z)/22:0/18:3(9Z,12Z,15Z)) 175174 0 0 0 0 0 0 0 0999 V2000 2.3071 -7.8051 10.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -6.5544 9.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8549 -5.8266 9.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 -5.6185 7.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -6.0530 6.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6538 -4.8995 6.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6806 -4.7100 4.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -5.6912 4.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9747 -4.9603 3.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9726 -4.8385 2.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -5.3960 1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 -6.3751 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2659 -5.7338 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7661 -4.5290 -1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -4.8556 -2.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 -3.7353 -3.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9769 -2.5715 -2.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9766 -1.8499 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8124 -1.6791 -2.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -1.3273 -0.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 -0.6594 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 0.6036 -0.2126 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7508 1.7556 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 2.8417 -0.8098 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 2.8616 -2.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9649 1.9005 -2.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 3.9931 -2.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 3.8580 -4.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 3.9794 -4.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6328 5.2869 -4.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 5.8691 -3.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 5.1536 -3.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 5.9470 -2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 5.7285 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 5.2736 0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6193 4.9514 0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 3.5460 0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8171 2.8034 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7229 3.3154 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7695 2.6707 -1.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 1.3053 -2.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7227 0.1733 -1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2607 0.0218 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 1.1357 0.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 1.3692 0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 1.0970 -0.9943 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 1.9352 1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3465 0.8713 1.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3432 1.3229 2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 2.1843 2.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2211 3.5798 2.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 4.1949 1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6025 4.1415 2.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9064 4.7539 2.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8789 4.4570 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7697 4.7013 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7723 4.1002 -1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7765 2.5844 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 2.2020 -2.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5372 0.6982 -2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3482 0.3507 -3.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1755 -1.1150 -3.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3593 -1.7494 -3.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 -3.2313 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0872 -3.9883 -4.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4256 -3.9678 -4.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4748 -4.5394 -2.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 -8.5333 10.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 -8.2237 9.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 -7.5790 11.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8468 -6.7322 9.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 -5.9074 10.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9706 -5.4314 9.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 -5.0580 7.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -6.9027 6.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -6.4614 7.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1425 -4.1461 6.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -3.8505 4.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -6.5245 4.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -6.1174 3.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -4.4998 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 -4.2794 1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -4.5186 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 -5.9662 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8669 -7.2076 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 -6.7765 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 -6.5168 -1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -5.4127 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8804 -4.1933 -2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -3.8194 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4328 -5.6063 -3.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -5.3559 -1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 -3.4057 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1255 -4.0992 -3.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 -1.8686 -3.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -2.8933 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4294 -1.3271 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7787 -0.4024 1.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.4306 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 1.4970 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 2.0065 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9897 4.9530 -2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2815 3.7583 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 2.8643 -4.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 4.5907 -4.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6771 3.1186 -4.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 3.7732 -6.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8244 6.0419 -5.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3492 5.3768 -5.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 6.8607 -4.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 6.2426 -3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 5.1682 -3.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 4.1342 -2.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 5.7458 -1.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 7.0388 -2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 5.9421 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4215 5.1234 0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3971 5.4408 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7128 5.5686 1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 3.0616 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 1.7649 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7810 3.1396 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7259 4.4399 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3185 3.3343 -2.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7233 2.6474 -2.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4532 1.0291 -3.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4201 1.3388 -1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 0.1457 -0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -0.7738 -1.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8057 1.0277 -1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8225 -0.6764 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1889 -0.4190 -2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 2.3518 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2193 2.6956 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 0.1394 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6075 0.1778 2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7404 1.9452 3.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6949 0.4614 3.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 2.2281 3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1134 1.6471 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 3.8746 1.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 4.2349 2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3243 5.2022 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8125 3.4791 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1969 4.5800 3.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8112 3.0608 2.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 5.9212 2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4409 4.7439 3.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8612 5.0157 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2654 3.3745 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6214 5.8449 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8096 4.6197 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7651 4.4996 -1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 4.3777 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6286 2.1656 -0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7197 2.2640 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6569 2.5456 -1.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7238 2.6454 -3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4648 0.3693 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3483 0.2653 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4388 0.8917 -4.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4314 0.7018 -2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2733 -1.3129 -3.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0339 -1.5852 -2.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5482 -1.3133 -4.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2575 -1.6835 -3.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0825 -3.3218 -4.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8383 -3.5901 -3.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2031 -3.5600 -5.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 -5.0292 -4.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1054 -4.5864 -4.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8679 -2.9360 -4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4883 -4.8876 -2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1798 -5.4124 -2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8465 -3.7685 -2.1020 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 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 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 6 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 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 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 67175 1 0 M END