HMDB0304751 RDKit 3D gamma-Aminobutyric acid-betaxanthin 37 37 0 0 0 0 0 0 0 0999 V2000 6.1532 -1.8471 -0.5266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -0.9408 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 -0.3617 1.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 -0.5329 -0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 0.4597 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8397 0.0076 1.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9966 -1.1460 1.1654 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7383 -1.1414 0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 0.1207 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 0.1515 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 1.4581 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1246 1.5684 -0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 2.8682 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 3.0242 -0.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8965 3.9869 -0.3977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 0.3414 -0.1649 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -0.8296 -0.6376 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0606 -2.0030 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2574 -1.9182 -0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5706 -3.2161 -1.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9765 -1.0670 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9652 0.6305 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5405 -0.1632 -1.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 -1.4412 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9698 1.4059 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 0.8098 -0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3237 0.8964 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 -0.2363 1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 -2.0976 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 1.0720 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 2.3445 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 4.9102 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 0.4000 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -0.6693 -1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6146 -3.5127 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4085 -1.3556 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 -1.9764 -0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 17 21 1 0 21 10 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 15 32 1 0 16 33 1 0 17 34 1 6 20 35 1 0 21 36 1 0 21 37 1 0 M END