HMDB0039066 RDKit 3D 6',7'-Dihydroxybergamottin 51 53 0 0 0 0 0 0 0 0999 V2000 -0.3369 2.3828 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3523 1.1015 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7376 0.3610 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 -0.9157 0.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -0.8749 1.2642 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 -0.5426 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 0.7621 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 1.9009 1.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 2.9335 0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 2.4325 0.4274 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 1.1417 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 0.1564 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -1.1725 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2336 -2.1006 -0.6999 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9089 -3.3711 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6992 -4.2425 -1.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 -3.8145 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 -2.8489 0.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -1.5007 0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5132 0.6864 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7597 0.4954 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 0.0748 0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0493 1.0911 1.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1618 -0.2022 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1552 -0.7385 0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7616 0.9979 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9638 -1.2071 -1.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0009 3.1492 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 2.8317 -1.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 2.2051 -2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 0.7578 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -1.6525 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1823 -1.3947 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 1.9580 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 3.9750 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 0.4142 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -4.8689 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.1416 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 1.4103 1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -0.2647 0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5886 -0.1779 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 1.5185 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5418 -0.8450 1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7775 1.9497 1.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7359 -1.6586 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2712 0.0364 1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1188 -1.0231 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 1.8956 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3311 1.2593 -1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8471 0.7679 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8534 -2.0878 -0.6507 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 22 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 19 6 1 0 11 7 1 0 19 13 2 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 8 34 1 0 9 35 1 0 12 36 1 0 17 37 1 0 18 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 25 45 1 0 25 46 1 0 25 47 1 0 26 48 1 0 26 49 1 0 26 50 1 0 27 51 1 0 M END