HMDB0029516 RDKit 3D Limocitrin 39 41 0 0 0 0 0 0 0 0999 V2000 4.6348 -2.8489 0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9306 -1.6643 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 -0.7882 -0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -1.1170 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 -0.2848 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -0.4638 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 0.4397 -0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 0.3800 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 1.3726 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 2.4468 -1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8127 3.5542 -0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 1.3388 -0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9703 2.3800 -1.2464 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7869 0.2809 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9803 -0.7264 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5340 -1.8297 1.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5993 -0.6749 0.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7713 -1.6504 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2496 -2.6477 1.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -1.5373 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -2.5515 1.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9757 0.8824 -0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 1.2014 -1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.3508 -0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 0.6297 -1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1282 -2.6333 1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6024 -3.3954 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9332 -3.4439 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.0117 0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2853 3.5669 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 4.5197 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7197 3.6059 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 3.1484 -1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 0.1989 0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5431 -1.8715 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0049 -3.3285 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 1.5693 -1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5023 2.1261 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 1.4768 -1.6076 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 20 6 2 0 17 8 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 21 36 1 0 22 37 1 0 23 38 1 0 25 39 1 0 M END