HMDB0294905 RDKit 3D DG(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) 107106 0 0 0 0 0 0 0 0999 V2000 -12.4225 2.5426 1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0127 1.4453 2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3833 0.1049 1.9634 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4377 -0.5644 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7904 0.1096 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9478 -0.7803 -1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9274 -1.2535 -2.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4895 -1.0218 -2.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9064 -0.3665 -3.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3277 0.7842 -3.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1570 1.6745 -2.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7231 1.9049 -1.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0172 1.5934 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5479 0.9705 0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 -0.3595 0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1923 -1.3833 -0.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 -0.4962 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0139 -1.6444 2.2618 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 -1.0639 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1666 -0.2929 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 -0.7907 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -0.7701 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -0.3144 0.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4456 -1.2713 -1.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -1.2764 -0.2646 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0685 -2.6746 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 -3.2466 0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 -0.3810 -0.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 -0.3754 -0.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 -1.2991 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 -2.3732 -0.9537 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1931 -1.0921 0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1682 0.2335 1.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4357 0.5118 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6336 0.5247 0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 0.8020 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0705 0.8445 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2991 -0.4093 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3794 -0.3577 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 -0.0231 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1390 1.3227 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6595 1.3837 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0745 0.3993 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2631 3.4530 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4009 2.3351 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0555 2.9029 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0562 1.7611 3.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0865 1.3453 1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2943 0.2314 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7853 -0.5714 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5004 -0.8312 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9620 -1.5954 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4021 1.0487 -0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7881 0.4416 -0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9859 -1.0033 -1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1700 -1.8976 -3.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0237 -2.0714 -1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3675 -0.5436 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9807 -0.9550 -4.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9335 1.1613 -4.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6213 2.6743 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7103 1.2653 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1801 2.3753 -2.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 1.8572 -0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6677 0.8979 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3673 1.7152 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8199 -0.7500 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2218 -2.2663 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 0.3115 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4019 -1.5690 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -1.1655 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7768 -2.1193 0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 -0.2279 -1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9385 0.7607 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 -0.1290 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 -1.8261 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.8050 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -2.6813 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 -3.3422 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -2.7702 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 0.7015 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 -0.5859 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -1.9013 1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9933 -1.1636 -0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 1.0660 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3354 0.2951 1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6052 -0.2476 2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3608 1.4966 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 -0.4558 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 1.2836 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.7706 2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0999 -0.0051 2.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0585 1.7159 0.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9372 0.8994 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3831 -0.7692 -0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5328 -1.2445 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3452 -1.3902 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0091 0.2963 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3848 -0.2235 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1564 -0.8373 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6038 1.8057 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0346 2.0485 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1507 1.1227 -0.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8905 2.3936 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2523 0.2643 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3074 -0.6207 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9473 0.7698 1.7094 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 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 25 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 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 19 72 1 0 20 73 1 0 20 74 1 0 21 75 1 0 21 76 1 0 25 77 1 1 26 78 1 0 26 79 1 0 27 80 1 0 28 81 1 0 28 82 1 0 32 83 1 0 32 84 1 0 33 85 1 0 33 86 1 0 34 87 1 0 34 88 1 0 35 89 1 0 35 90 1 0 36 91 1 0 36 92 1 0 37 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 39 98 1 0 40 99 1 0 40100 1 0 41101 1 0 41102 1 0 42103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 M END