HMDB0047961 RDKit 3D TG(14:1(9Z)/18:1(9Z)/24:1(15Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -5.4759 -4.1587 9.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6007 -4.4255 8.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1529 -4.8292 6.9481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3007 -3.7725 6.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0594 -2.5119 6.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2919 -2.0257 4.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8516 -2.6381 3.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9811 -3.0505 2.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8710 -1.9789 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1981 -0.8825 1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2923 0.0592 1.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0153 1.2397 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4643 1.1024 -1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0937 0.5687 -1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7633 0.1368 -2.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1411 0.4924 -0.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 0.0428 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 -1.3635 -0.7244 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8484 -2.3947 0.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0867 -3.5250 -0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9455 -4.6707 0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4943 -4.7398 1.7937 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -5.8213 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -5.6063 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2479 -4.3874 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -4.1804 -0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -2.9856 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -1.6992 -0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 -1.3543 0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9774 -0.0804 1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 1.1189 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6552 2.3070 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 3.5898 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0466 4.1564 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 4.5266 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 5.5519 1.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 5.4387 3.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 4.1988 3.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 3.7715 4.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5478 2.5288 5.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 2.3375 6.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 2.4413 6.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4154 2.0484 7.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9088 2.1425 7.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5285 1.2217 6.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 -1.7654 -1.9824 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -2.2936 -2.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0192 -2.4209 -2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6814 -2.6776 -4.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 -3.5659 -5.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3581 -3.0317 -5.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 -1.7087 -5.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2655 -1.3200 -5.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1603 -2.2851 -6.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 -1.7880 -6.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5941 -2.6226 -7.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4731 -2.2441 -7.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6173 -0.8725 -8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0158 -0.3837 -8.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 1.0110 -8.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7095 1.4009 -8.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9799 2.8297 -8.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3572 3.2250 -8.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6709 4.6612 -8.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 5.5956 -7.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8843 -3.9108 10.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8248 -5.0234 9.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9551 -3.2348 8.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1933 -5.2794 8.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3099 -3.5603 8.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5309 -5.7476 7.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0482 -5.1053 6.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8064 -4.1740 5.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4694 -3.5705 6.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4342 -1.9758 6.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8644 -1.0875 4.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3194 -1.8007 3.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1217 -3.4345 3.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6030 -3.7719 3.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6225 -3.6845 1.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6580 -2.4045 1.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4428 -1.5148 3.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8184 -1.4487 0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4299 -0.4213 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6794 0.4415 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1673 -0.5512 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3349 1.9801 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9797 1.8462 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4051 2.1510 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1608 0.5893 -1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 0.2771 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 0.7373 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 -1.4355 -0.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4435 -1.9489 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -2.7086 0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -6.7085 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 -6.0623 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -5.4359 1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -6.5013 -0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5192 -4.5426 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 -3.4710 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6251 -4.0888 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -5.0618 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7165 -2.8583 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 -3.1864 -2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -1.6847 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 -0.9178 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 -2.2119 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 -1.1838 0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -0.1189 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 0.0588 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 0.9345 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 1.1775 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1422 2.3795 1.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4095 2.0761 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 4.3761 0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 3.5573 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8191 5.1636 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 3.6251 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 5.0222 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 3.6481 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 6.5141 1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0409 6.2672 3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 4.4073 4.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 3.3555 3.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 3.6784 3.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1337 4.6488 5.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7411 1.6942 4.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 2.2868 5.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1243 1.2826 6.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 2.9964 7.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1322 3.5332 6.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 1.7988 5.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.7647 8.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 1.0078 8.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2967 1.9024 8.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 3.2086 7.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2968 1.5452 5.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2462 0.1749 6.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6396 1.2825 6.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9965 -1.8095 -4.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 -3.2907 -4.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2322 -3.8409 -5.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6518 -4.5108 -4.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8474 -3.7708 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7532 -3.1459 -4.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5334 -1.7434 -6.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -0.8736 -5.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 -0.2803 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.3383 -4.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 -2.2226 -7.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -3.3045 -6.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -0.7528 -6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 -1.7136 -5.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -3.6946 -6.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1796 -2.9944 -8.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.8324 -9.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 -0.1796 -7.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1889 -0.4276 -7.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -1.0799 -8.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5694 1.7672 -8.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3512 1.0563 -9.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4565 0.7632 -8.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8097 1.3169 -7.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2353 3.5483 -8.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0091 2.8758 -9.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1584 2.6077 -8.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4254 3.1285 -6.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6505 4.9757 -7.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7575 4.7433 -9.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1041 6.5937 -7.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7533 5.6542 -8.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 5.1856 -6.7974 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 2 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 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 44 45 1 0 18 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 2 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 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 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 17 91 1 0 17 92 1 0 18 93 1 6 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 25101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END