HMDB0299290 RDKit 3D DG(i-16:0/0:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 114113 0 0 0 0 0 0 0 0999 V2000 14.1922 -0.3299 2.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6183 -1.2876 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6682 -0.7066 0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5132 -0.5173 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2767 -0.8607 -1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7035 0.3544 -1.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5345 0.8813 -1.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6123 0.2289 -0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 -0.1837 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1835 0.2579 -1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0115 1.2150 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3506 2.4524 -0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 2.9017 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 2.2390 1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 1.8185 0.4942 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3624 1.1914 1.5381 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2373 0.8763 -0.6565 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9700 -0.2265 -0.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9601 0.2948 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 1.3354 -1.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7248 0.6220 -2.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 -0.1370 -1.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 0.0230 0.0697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -1.0907 -1.4059 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 -1.8004 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4638 -2.8351 -0.9610 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5954 -3.6418 -1.7675 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -2.2432 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4534 -1.4486 -1.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3521 -1.8832 -0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2074 -3.0987 -0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 -1.0323 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8113 0.0096 1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9063 0.8704 1.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8052 0.0552 2.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9414 0.8036 3.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9686 1.4497 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8833 0.6969 1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2315 0.0691 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8606 -0.7133 -0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8408 -0.1737 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2394 0.0912 -1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0045 0.8036 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2462 0.1235 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0300 1.0732 1.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1736 -1.1097 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0246 -0.1454 3.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8863 0.6606 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3901 -0.8426 3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0956 -2.1612 2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7671 -1.7306 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6456 -0.4147 1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3276 -0.0764 -1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6082 -1.5627 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -1.4657 -2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3458 0.8735 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1732 1.7781 -2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0654 -0.6983 -0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4774 0.8990 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4399 -0.9087 -2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 -0.1172 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9020 1.4446 0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3394 0.6783 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8970 2.9937 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8238 3.8384 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 1.4663 1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2151 3.0753 1.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 2.7278 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 0.1988 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 1.3350 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 -1.0529 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 -0.2813 -2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 -0.4528 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6445 2.0306 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 1.9149 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.4084 -2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 0.0483 -3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1164 -1.1221 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2155 -2.3145 0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -3.4620 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9587 -4.5545 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 -3.0055 -2.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -1.5555 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0871 -1.7109 0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 -0.5378 -0.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1825 0.7203 0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -0.4320 1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4830 1.7029 2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4608 1.2731 0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9566 -0.9659 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1453 -0.1521 3.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4504 1.6440 3.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3617 0.1625 3.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6599 1.9990 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5004 2.3291 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4041 -0.0540 2.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7187 1.3749 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5402 0.8630 -0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3883 -0.5900 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9714 -1.0782 -1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1818 -1.7237 -0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3887 0.8591 -2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7092 -0.7282 -2.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8280 -0.9181 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5555 0.6112 -2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0511 1.0826 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5773 1.8303 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4181 -0.2768 1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9235 0.7285 2.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1185 1.0830 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6285 2.0924 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0522 -0.7661 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5685 -1.8308 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5153 -1.5080 1.4539 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 44 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 6 16 69 1 0 17 70 1 6 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 25 78 1 0 25 79 1 0 26 80 1 1 27 81 1 0 28 82 1 0 28 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 45109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END