HMDB0297010 RDKit 3D DG(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0/2:0) 73 72 0 0 0 0 0 0 0 0999 V2000 -6.7881 0.1741 -2.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2241 1.4027 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0808 2.2189 -1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7015 2.5168 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2681 2.1562 1.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4776 1.4121 1.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6169 0.2543 1.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6005 -0.6188 2.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5535 -1.9535 1.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5571 -2.5963 1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1772 -2.1070 1.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 -2.1120 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0840 -1.0504 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 0.2752 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 0.9655 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 0.5911 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 -0.7055 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 -0.9413 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 0.0749 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 1.1149 -0.8053 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 -0.4706 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 -0.9494 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3091 -1.4744 -1.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 -1.9159 -2.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9591 -1.4674 0.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 -1.8955 0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2813 -0.9849 -0.2955 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1741 -0.7824 -1.6289 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 0.2710 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6325 0.9500 0.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1957 1.5588 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5431 2.2351 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6078 1.5707 -1.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0651 -0.4404 -1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4586 0.5111 -3.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7115 -0.4267 -2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9480 1.0867 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8021 2.0110 -2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4588 2.6364 -2.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7576 3.1768 -0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4587 1.7893 1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4887 3.1806 1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4208 1.8947 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6742 -0.1372 1.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6228 -0.0887 2.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8994 -0.6526 3.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5421 -2.4953 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7184 -3.6263 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5676 -2.8902 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 -1.1951 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 -3.0682 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6861 -1.1481 -1.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 0.3910 0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5443 0.9374 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 2.0228 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1923 1.3281 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 -1.5098 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -1.9120 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8927 0.4438 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9129 1.6214 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -1.2988 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 0.3828 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -1.7404 -1.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8952 -0.0729 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3846 -2.9394 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -1.9678 1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2819 -1.5868 -0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5744 -0.0049 -1.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5655 0.9505 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4194 -0.0075 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2704 1.5182 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5085 3.1830 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7773 2.4267 0.4157 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 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 14 54 1 0 15 55 1 0 16 56 1 0 17 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