HMDB0039067 RDKit 3D Epoxybergamottin 48 51 0 0 0 0 0 0 0 0999 V2000 0.9554 -2.7912 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 -1.4045 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 -0.6995 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 0.6537 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 0.6862 1.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 0.3031 0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3496 -1.0096 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 -2.1682 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6986 -3.1933 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7411 -2.6953 0.3955 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5968 -1.4225 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4432 -0.5277 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 0.7786 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 1.6200 -1.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5792 2.8895 -1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 3.7184 -1.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3584 3.3605 -0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 2.5209 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 1.1936 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9508 -0.8825 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -0.8067 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3453 -0.2677 0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2002 0.9964 1.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 0.9459 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 1.6457 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5411 0.9667 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 -3.2554 -0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6343 -3.4359 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3186 -2.6271 -1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 -1.2112 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 1.0542 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6112 1.3553 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8255 -2.2324 1.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5242 -4.2057 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 -0.8329 -0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 4.3985 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 2.8737 0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -1.6710 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7847 0.0703 1.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5789 -1.8169 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 -0.2029 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 -1.0196 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5326 2.1037 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 0.9648 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 2.5076 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 1.3124 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9212 -0.0924 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0594 1.5524 -0.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 2 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 19 6 1 0 24 22 1 0 11 7 1 0 19 13 2 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 8 33 1 0 9 34 1 0 12 35 1 0 17 36 1 0 18 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 25 43 1 0 25 44 1 0 25 45 1 0 26 46 1 0 26 47 1 0 26 48 1 0 M END