HMDB0041768 RDKit 3D Phloretin 2'-O-glucuronide 54 56 0 0 0 0 0 0 0 0999 V2000 0.3787 0.5333 0.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.5226 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5239 -0.4014 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 1.0749 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 1.3655 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8617 1.6350 -1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 1.9184 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0336 1.9341 -0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4101 2.2170 -0.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4731 1.6660 0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1076 1.3840 0.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3311 -1.7779 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 -2.9339 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 -2.9061 -0.6485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -4.1635 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 -4.2089 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 -5.4386 -0.6236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6839 -3.0684 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 -1.7987 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8345 -0.7908 0.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.2117 0.3473 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3645 0.0141 1.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 1.1268 1.9466 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1568 0.8229 2.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8555 1.7459 3.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4228 -0.4800 3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4555 2.0802 0.8577 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5314 3.0775 0.6709 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7142 1.3328 -0.4204 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8406 0.5295 -0.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 0.4595 -0.8254 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8250 1.1491 -1.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -0.7452 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 -1.0085 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2341 1.6008 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 1.3991 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3115 1.6453 -2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6966 2.1316 -2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0231 1.4333 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0813 1.6724 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7403 1.1836 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -3.7515 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9441 -5.0407 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9486 -5.7692 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 -3.1289 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 1.2208 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 1.7068 2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8125 -1.2580 3.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 2.5692 1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3047 3.1456 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9385 2.0636 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6049 0.8951 -0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9058 -0.4971 -1.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 0.7444 -1.8383 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 2 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 23 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 11 5 1 0 19 12 1 0 31 21 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 14 42 1 0 15 43 1 0 17 44 1 0 18 45 1 0 21 46 1 1 23 47 1 1 26 48 1 0 27 49 1 1 28 50 1 0 29 51 1 6 30 52 1 0 31 53 1 6 32 54 1 0 M END