HMDB0240703 RDKit 3D Isolariciresinol sulfate 54 56 0 0 0 0 0 0 0 0999 V2000 -2.6152 -2.4812 -1.8781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 -2.4758 -0.5942 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -1.7676 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 -1.0009 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 -0.2594 1.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 0.5689 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 -0.2511 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5096 -1.5425 1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.3410 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6593 -3.6096 1.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 -1.8780 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6759 -2.6684 -0.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6836 -2.1787 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 -0.6032 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 0.1935 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 1.5561 -0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 2.0135 -0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 1.3518 -1.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 1.7509 -3.0756 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 1.8489 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3888 2.1007 0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5814 3.3167 -0.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 3.4888 -0.7963 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.0512 2.6976 0.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 3.0502 -2.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 5.1078 -0.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -0.3471 2.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8232 -1.0932 2.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 -1.8088 1.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4938 -2.5668 1.8984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5059 -2.6498 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 -3.2799 -2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 -1.4966 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0981 -0.9934 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4586 0.8702 2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7004 -1.8816 1.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9638 -4.0006 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0143 -1.1645 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3606 -2.1563 -2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5615 -2.8632 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2306 -0.1913 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8607 1.5432 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8608 2.2315 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9175 3.1043 -0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 0.2343 -1.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7206 1.6186 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 2.7425 -2.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3621 2.7309 1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8554 1.2638 -0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 2.1671 1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2341 5.4920 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3075 0.2098 3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3077 -1.1136 3.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9433 -2.5892 2.7966 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 2 0 23 26 1 0 5 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 3 1 0 20 6 1 0 15 7 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 6 35 1 0 8 36 1 0 10 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 30 54 1 0 M END