HMDB0038126 RDKit 3D Genipinic acid 31 32 0 0 0 0 0 0 0 0999 V2000 4.6049 -0.5406 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2332 -0.9004 -0.4523 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2694 0.0096 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6413 1.1263 0.3571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.4374 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7366 -1.6257 0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 -1.5841 1.7594 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -2.7940 0.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 0.6065 0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 1.8790 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 2.4764 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 1.2509 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 0.1811 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3975 -0.9903 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 -2.0700 -0.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3882 -0.5542 -0.9577 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 0.7962 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8551 -0.4117 0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2121 -1.4067 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7753 0.3752 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6426 -0.7622 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 -3.6887 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 0.8579 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0313 1.6638 -1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 2.5713 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 2.7474 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6861 3.2848 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -1.3117 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 -2.8620 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 1.3564 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2752 0.7569 0.2973 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 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 13 9 1 0 17 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 15 29 1 0 17 30 1 0 17 31 1 0 M END