HMDB0294793 RDKit 3D DG(12:0/18:3(9,11,15)-OH(13)/0:0) 97 96 0 0 0 0 0 0 0 0999 V2000 13.4034 3.2062 -0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0849 2.9292 -0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2556 1.6441 -1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4455 0.6178 -1.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6387 -0.6539 -2.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3479 -0.9800 -2.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5383 -2.1935 -3.5203 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2886 -1.2290 -1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4522 -1.4923 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 -1.7315 0.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -1.9917 1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5095 -2.2482 2.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1148 -2.0827 2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7907 -0.6759 1.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -0.4857 1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -0.9188 2.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 -0.7263 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 -1.5130 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -1.2447 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -1.8042 -0.9559 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 -0.3887 0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8652 -0.1583 0.4026 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7976 -0.6618 1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -0.0419 2.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0889 1.3055 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 1.4919 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0338 0.9678 -1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 0.2724 -2.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5263 1.1821 -1.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0250 2.0496 -0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3935 2.5433 -0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5673 1.6348 -0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8712 0.7837 -1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9375 -0.2440 -1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2965 0.1502 -1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5821 0.6263 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0691 0.9714 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9773 -0.1763 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7639 -1.3427 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2066 2.8496 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5284 4.2575 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4503 2.5081 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2516 2.8578 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8388 3.6984 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0042 1.5048 -2.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7029 0.7725 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4842 -0.5613 -2.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9557 -1.4425 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0664 -0.1707 -3.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1601 -2.1115 -4.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2498 -1.1944 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4289 -1.5457 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 -1.7283 -0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5569 -2.0211 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6013 -1.5289 3.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5969 -3.2814 3.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 -2.6961 1.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3601 -2.5470 2.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -0.0482 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5272 -0.1236 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 0.6315 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 -0.9853 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 -1.9784 2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -0.3249 3.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 0.3358 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -1.1043 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 -2.5784 0.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3651 -1.1307 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.7677 -0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8196 -0.3892 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 -1.7678 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 0.2407 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 1.8226 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 1.6728 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8990 0.1343 -1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5537 1.5612 -2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3539 2.9871 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 1.5943 0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4707 3.1829 0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5299 3.3344 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4438 2.4179 -0.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6446 1.1742 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9625 0.2560 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1425 1.5234 -2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0058 -0.8142 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6047 -1.1070 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5701 1.0296 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0499 -0.6480 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0217 1.4854 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3490 -0.1895 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2865 1.4932 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2713 1.7309 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0394 0.1618 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9453 -0.5523 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8618 -1.0638 2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8417 -1.8957 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6105 -2.0580 0.8619 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 17 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 22 69 1 6 23 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 29 75 1 0 29 76 1 0 30 77 1 0 30 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 39 97 1 0 M END