HMDB0242227 RDKit 3D ((2R,3S,4S,5R,6S)-6-(2-(3-(Benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylpheno... 65 68 0 0 0 0 0 0 0 0999 V2000 -4.0543 3.1395 -4.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3863 1.7930 -3.6828 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 1.5041 -2.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6425 2.4357 -1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0073 0.2407 -1.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 -0.0901 -0.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 0.1912 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0918 -0.5401 -0.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 -1.4379 0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0661 -1.2301 0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1284 -2.0999 0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 -3.3786 -0.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5738 -4.2149 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 -5.5763 -1.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 -3.7529 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -2.4369 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 -2.1064 -0.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.6122 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 -0.2792 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 0.3970 0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 0.4688 0.5571 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 1.1678 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3857 1.8738 -0.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 1.2871 -0.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8016 1.9492 -0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 3.2465 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7074 4.1083 0.4802 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 5.2348 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7905 5.1118 0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 3.8281 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 3.1682 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 -1.4034 2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -2.5985 2.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2552 -1.3394 2.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8424 -2.3759 1.5551 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 0.0087 1.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9970 0.1435 1.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 3.8514 -3.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 3.3294 -3.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 3.2569 -5.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6384 -1.1241 -0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1779 0.5468 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8427 1.2668 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -2.4477 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4495 -3.7270 -0.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2697 -5.7033 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -6.3608 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8304 -5.8481 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -4.3512 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1152 -1.4294 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 -0.0620 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5294 1.3652 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 1.9678 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2684 0.5153 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 0.2819 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7653 1.4909 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6540 6.1242 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0307 5.8197 1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3855 3.6236 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3217 -0.5099 2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2034 -2.4541 3.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5222 -1.4493 3.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2905 -3.1983 1.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 0.7641 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3941 -0.3640 2.5779 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 9 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 7 1 0 18 11 1 0 31 23 1 0 30 26 1 0 1 38 1 0 1 39 1 0 1 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 9 44 1 0 12 45 1 0 14 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 17 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 24 55 1 0 25 56 1 0 28 57 1 0 29 58 1 0 31 59 1 0 32 60 1 0 33 61 1 0 34 62 1 0 35 63 1 0 36 64 1 0 37 65 1 0 M END