HMDB0297013 RDKit 3D DG(2:0/0:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 73 72 0 0 0 0 0 0 0 0999 V2000 -11.5428 3.5424 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1906 2.3894 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0622 1.1976 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9706 0.4909 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7468 0.8550 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4235 -0.2871 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2991 -0.9596 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2309 -0.6137 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9145 -1.7447 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 -2.2564 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5829 -1.7720 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 -1.2811 -0.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2476 -1.7396 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8643 -2.7968 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 -3.3309 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -3.0479 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -4.2274 -1.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 -1.9280 -1.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -2.0499 -1.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0443 -1.0954 -1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8443 0.1716 -0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 0.1982 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 0.0845 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -1.0611 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0364 1.1525 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3698 1.2061 -0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3446 0.5347 0.3867 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1029 -0.8250 0.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 1.1985 1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 2.5654 1.7097 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6956 3.1412 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7968 4.6425 1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6426 2.4359 0.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7557 3.5693 -1.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5386 3.3784 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5025 4.5104 0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3691 2.7470 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1340 2.2973 1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9649 0.8939 -0.8978 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9751 -0.3850 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9661 1.0426 -0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7956 1.8065 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2344 -0.5425 1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1596 -1.7776 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 -0.3980 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 0.3251 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7357 -2.1579 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5417 -3.0999 -1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -1.0335 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 -2.6909 0.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 -0.4519 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 -1.2453 -1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -3.2216 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 -4.1613 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 -3.0974 0.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 -4.9858 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5864 -0.9196 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -2.1200 -2.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4649 -2.9536 -2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -1.2621 -1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 0.4113 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 1.0203 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 -0.6375 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 1.1456 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 0.7748 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6212 2.2954 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3640 0.7157 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9375 -1.3154 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1067 0.7136 2.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3390 1.0104 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3212 4.9581 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4560 4.9780 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7816 5.0733 1.3008 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 2 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 19 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 26 65 1 0 26 66 1 0 27 67 1 6 28 68 1 0 29 69 1 0 29 70 1 0 32 71 1 0 32 72 1 0 32 73 1 0 M END