HMDB0039137 RDKit 3D 2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate 49 50 0 0 0 0 0 0 0 0999 V2000 -2.3748 3.4990 -1.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8003 2.5639 -0.8551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3425 1.2324 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 0.9618 -1.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7779 0.2795 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6449 0.6782 1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -0.3042 1.9876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5268 -1.5324 1.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9272 -1.3531 0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6359 -2.0102 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 -3.4291 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -4.2874 -0.2686 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -1.1247 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3413 -1.6423 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 -0.9505 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0481 -0.1161 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 -1.1911 -1.2312 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -0.5195 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8687 -0.7463 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.0394 0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 -0.5477 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5044 0.1625 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5130 1.4560 0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7036 2.1800 0.5173 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 2.0757 0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 3.3898 1.3620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1945 1.3357 0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 2.9959 -2.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1740 4.2661 -1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 3.9898 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0046 1.6958 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 -2.2612 2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3161 -0.3641 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9818 -1.3780 -0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5668 -2.1800 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2144 -1.9743 -0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 -3.6942 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 -1.2020 1.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1515 -2.7171 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5972 -1.6757 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9879 -0.8500 -1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1349 0.5983 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1374 -1.8088 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -0.4102 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 -1.5470 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 -0.3133 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 3.1185 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5114 3.8064 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2911 1.8056 1.1684 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 13 5 1 0 27 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 6 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 21 45 1 0 22 46 1 0 24 47 1 0 26 48 1 0 27 49 1 0 M END