HMDB0029990 RDKit 3D Dulciol A 66 68 0 0 0 0 0 0 0 0999 V2000 8.3201 1.6568 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4973 0.3933 -0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0189 -0.8720 -1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 0.4000 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4829 -0.8131 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -0.8741 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 0.1274 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 1.5553 -0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0135 -0.2708 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9963 0.7004 0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 0.4043 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 0.5414 -1.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0435 0.9675 -2.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 0.2487 -1.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5119 0.4117 -3.0599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0293 -0.1781 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4454 -0.5124 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3420 0.6328 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1493 0.8726 -2.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3046 0.0187 -3.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0215 2.1111 -2.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -0.3230 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4757 -0.7379 1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6768 -1.0059 1.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9957 -0.8638 2.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 -1.2812 3.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1224 -1.5896 3.6757 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -1.3675 5.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -1.0652 5.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -1.1711 6.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -0.6571 4.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 -0.5569 3.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8882 -0.1647 2.0787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 -0.0268 0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2578 1.5603 -0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 2.4524 -0.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 1.9974 -1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 -0.6662 -1.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -1.6269 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 -1.2716 -2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9688 1.3499 0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 -1.6864 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2576 -1.0656 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7774 -1.8952 -0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4094 -0.8327 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 2.0840 0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 2.1604 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 1.6551 -1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 -1.3505 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 0.7479 1.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 1.7400 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 1.1764 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 0.2582 -3.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8311 -1.4417 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3414 -0.8477 -2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3098 1.3451 -0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3510 0.1045 -3.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -1.0434 -3.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 0.3414 -4.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 2.9060 -1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2209 2.4596 -3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9422 1.9059 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8048 -1.6434 3.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 -1.7001 5.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -0.9568 6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0778 -0.4206 4.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 16 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 11 1 0 34 22 2 0 32 25 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 8 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 13 52 1 0 15 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 20 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 21 62 1 0 27 63 1 0 28 64 1 0 30 65 1 0 31 66 1 0 M END