HMDB0240377 RDKit 3D Enterolactone 3'-glucuronide 60 63 0 0 0 0 0 0 0 0999 V2000 -4.5513 2.2651 0.6048 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 1.4488 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 0.7726 2.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 0.0053 2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1116 -0.2766 0.5877 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0120 -1.4019 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4548 -1.1428 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 -1.4359 1.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4285 -1.2217 1.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2157 -0.7025 0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6327 -0.4004 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4336 0.1172 -1.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.6241 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 0.9895 -0.0382 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4802 2.0607 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3213 1.7559 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3045 2.0767 -2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 1.7674 -2.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8952 1.1489 -2.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 0.8117 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0244 0.1995 -0.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2834 -0.2317 0.7405 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3573 0.4923 1.2548 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4923 0.4574 0.4799 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5744 1.6124 -0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5476 1.7344 -1.2484 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 2.5559 -0.4804 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6006 -0.8664 -0.2267 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9378 -1.1479 -0.5732 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -1.9188 0.7160 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3638 -3.2148 0.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -1.7113 0.8363 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1909 -2.1729 2.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7676 1.1409 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.5596 2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3775 -0.9487 2.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0781 -0.6020 0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -2.3660 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8774 -1.6456 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -1.8541 2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -1.4698 2.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2774 -0.5288 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 0.3751 -2.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8742 -0.3775 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9372 0.7993 -1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 2.9741 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 2.3414 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 2.5679 -2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 2.0169 -4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 0.9044 -2.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 -0.0299 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.4979 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 3.2657 -1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9926 -0.8944 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 -2.1003 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5334 -1.7131 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 -3.7248 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0581 -2.2611 0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 -1.5982 2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7864 0.8689 0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 5 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 20 34 2 0 14 2 1 0 34 16 1 0 13 7 1 0 32 22 1 0 4 35 1 0 4 36 1 0 5 37 1 1 6 38 1 0 6 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 12 43 1 0 13 44 1 0 14 45 1 6 15 46 1 0 15 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 22 51 1 1 24 52 1 1 27 53 1 0 28 54 1 6 29 55 1 0 30 56 1 1 31 57 1 0 32 58 1 6 33 59 1 0 34 60 1 0 M END