HMDB0038858 RDKit 3D Oolongtheanin 81 88 0 0 0 0 0 0 0 0999 V2000 2.9176 1.4999 2.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3566 1.5041 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0883 0.4067 0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -0.6959 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1513 -1.9445 0.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -3.0015 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -4.0669 2.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2199 -4.1736 2.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -5.0689 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6784 -5.0261 2.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -6.0326 3.0749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 -3.9430 1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9193 -2.9412 1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 -1.8983 0.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0118 -0.8286 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9485 -1.0128 -1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1224 -0.9972 -2.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0649 -1.2069 -3.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 -1.1918 -4.2261 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 -1.4240 -4.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 -1.6333 -5.4806 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 -1.4367 -3.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3081 -1.2249 -1.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -1.2923 -1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2482 -0.1752 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 -0.0121 0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 1.3261 1.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1843 1.6728 1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 2.8296 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0631 3.0942 0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6254 4.2601 0.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8187 2.2232 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2536 1.0448 2.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0298 0.1757 2.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9492 0.7729 1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2072 -0.4267 2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5306 -1.0215 1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5048 -1.3216 0.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 0.8398 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2934 0.4119 -2.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 1.0402 -4.0049 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4652 -1.0781 -2.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7620 -1.4890 -2.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -1.6417 -3.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 2.6573 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 3.7590 1.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 4.8419 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3484 5.9470 1.6105 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5759 4.8208 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2885 5.9307 -0.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 3.7311 -1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8085 3.6995 -2.6182 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6027 2.6582 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 -0.4294 1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -1.7075 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.3012 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -3.4959 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4747 -5.9094 3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -6.8378 2.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 -3.9312 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 0.1145 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 -0.8216 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -1.3295 -5.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 -1.7975 -5.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9844 -2.2634 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -0.2141 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1474 3.5364 0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6232 5.1185 0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8666 2.4143 1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6466 -0.6610 3.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 -0.1435 3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7994 -1.2133 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 -1.9581 1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3508 -1.4722 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 1.8046 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8438 -2.3420 -2.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 3.7989 2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8672 6.7259 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6993 6.0822 -1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3338 4.4806 -2.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 1.8124 -1.4574 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 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 33 34 1 0 33 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 25 39 2 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 42 44 1 0 2 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 2 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 2 0 15 4 1 0 23 16 1 0 42 24 1 0 53 45 1 0 13 6 1 0 44 22 1 0 37 26 1 0 35 28 1 0 4 54 1 0 5 55 1 0 5 56 1 0 8 57 1 0 9 58 1 0 11 59 1 0 12 60 1 0 15 61 1 0 17 62 1 0 19 63 1 0 21 64 1 0 24 65 1 0 26 66 1 0 29 67 1 0 31 68 1 0 32 69 1 0 34 70 1 0 36 71 1 0 36 72 1 0 37 73 1 0 38 74 1 0 39 75 1 0 43 76 1 0 46 77 1 0 48 78 1 0 50 79 1 0 52 80 1 0 53 81 1 0 M END