HMDB0031955 RDKit 3D Dimethyl (1R*,2S*,3S*)-2-carboxy-3-(3,4-dihydroxyphenyl)-2,3-dihydro-5,6-dihy... 48 50 0 0 0 0 0 0 0 0999 V2000 5.1455 -2.0243 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4328 -0.8301 -0.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 -0.5037 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 -1.3742 1.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 0.7886 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 0.6396 0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.9232 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 3.2180 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 4.3052 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 5.6032 -0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 4.0961 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 5.1342 0.5689 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 2.8195 0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.7179 0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 0.2734 0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -0.3466 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 -0.6283 -1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -1.2248 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6701 -1.5486 -1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6332 -2.1430 -2.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 -1.2663 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2084 -1.6148 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 -0.6772 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6087 -0.2967 0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6535 -1.6937 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3064 -2.0236 -0.6198 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -2.6601 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 -4.0106 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8461 -2.8092 0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2282 -1.8558 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9653 -2.4572 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4165 1.5746 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7245 1.1074 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5831 0.2684 -0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 3.4042 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5347 5.8333 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 6.1019 0.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3993 2.6324 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 0.2052 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5463 -0.3942 -1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -1.4460 -3.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5491 -2.3767 -2.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 -1.4357 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -0.4846 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.2915 1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9894 -4.2871 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 -4.6116 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 -4.3304 0.1413 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 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 11 13 1 0 13 14 2 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 19 21 1 0 21 22 1 0 21 23 2 0 15 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 24 6 1 0 14 7 1 0 23 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 8 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 28 46 1 0 28 47 1 0 28 48 1 0 M END