HMDB0304122 RDKit 3D 3-dehydroshikimate 19 19 0 0 0 0 0 0 0 0999 V2000 3.1530 1.4238 0.0431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5676 0.3640 0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -0.6737 0.8748 O 0 0 0 0 0 1 0 0 0 0 0 0 1.1528 0.2409 0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4624 1.2388 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 1.0675 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 1.7564 -1.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 0.0509 0.1387 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.4587 1.4748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8676 -1.2397 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -1.5194 -1.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -1.0595 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 2.1712 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -0.0809 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 1.4513 1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3445 -2.0540 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 -0.6893 -1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 -1.0617 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -1.8451 0.0771 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 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 4 1 0 5 13 1 0 8 14 1 0 9 15 1 0 10 16 1 0 11 17 1 0 12 18 1 0 12 19 1 0 M CHG 1 3 -1 M END