HMDB0295965 RDKit 3D DG(18:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 120119 0 0 0 0 0 0 0 0999 V2000 -16.3859 0.4090 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2653 0.1496 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5190 -1.0575 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7502 -2.1234 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4856 -2.2724 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4092 -2.4771 -0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3871 -1.7063 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1933 -0.4915 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1575 0.6562 -1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1519 1.4862 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9009 1.4106 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7764 1.2472 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9638 0.2263 -1.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0407 -0.8557 -0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7393 -0.9904 0.4076 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0782 -2.1135 1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6435 0.2186 1.3013 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7879 -0.2026 2.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 1.3517 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8457 2.5714 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0909 3.6555 0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 3.1953 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0743 2.7732 1.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 3.2031 -0.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8065 2.8239 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 1.4218 -0.8799 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1492 0.5450 -1.5933 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1053 0.9499 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -0.1234 0.3991 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -1.3685 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2947 -1.6575 -0.6121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -2.4428 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 -2.1511 0.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -0.9820 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 -0.8671 0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.2557 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5767 0.1913 -0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3938 -1.0277 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5934 -1.1804 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5444 -0.0402 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7544 -0.1734 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4901 -1.4238 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7254 -1.6057 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 -0.4777 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2162 -0.3502 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2041 0.7732 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4120 0.5868 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3591 1.7498 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0414 1.1103 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2590 0.9079 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7704 -0.5343 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3056 0.2259 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3207 1.0171 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4201 -1.1270 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0047 -2.9845 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3905 -1.4783 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6668 -3.2699 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4863 -3.3648 -1.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5823 -1.8651 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9040 -0.3702 0.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1887 -0.6046 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0407 0.8409 -1.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2484 2.3262 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9894 0.7369 0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7182 2.4393 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6640 2.0565 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1509 0.2072 -2.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0933 -1.8221 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8307 -0.8293 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8805 -1.2181 -0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8885 -2.9391 0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5555 0.5766 1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -1.1030 2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 1.6478 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8381 0.9862 0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 2.9217 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 2.3125 2.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5672 3.7732 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1228 4.6250 1.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0612 3.4567 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5736 3.2095 -2.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 1.3958 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 0.5837 -1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 1.7923 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7811 0.6055 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -3.3466 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0564 -2.6844 -1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 -2.0895 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7818 -3.0611 0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 -0.0748 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -1.1587 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.6750 1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 -1.8119 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6281 1.2489 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9505 0.1872 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7626 0.2312 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 1.0915 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7724 -1.9469 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7757 -0.9314 -2.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3507 -1.3999 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1301 -2.1015 -0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9871 0.9035 -0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 0.0387 -1.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4297 0.7083 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4739 -0.2097 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8281 -1.4683 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8672 -2.3223 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3867 -1.7085 2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2191 -2.5282 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2035 0.4478 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5411 -0.6892 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6929 -1.3373 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3709 -0.1132 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6986 1.7137 -0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5084 0.8416 -1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0909 0.5811 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9241 -0.3603 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0194 1.5414 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0679 1.8600 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8094 2.6905 -0.1927 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 6 16 71 1 0 17 72 1 1 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 25 80 1 0 25 81 1 0 26 82 1 6 27 83 1 0 28 84 1 0 28 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END