HMDB0247232 RDKit 3D 7-Aminocephalosporanic acid 30 31 0 0 0 0 0 0 0 0999 V2000 4.6538 -0.8654 1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 -0.7723 0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.7565 -0.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8071 0.3947 0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7145 0.8103 -0.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 0.2402 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5898 1.0517 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 2.5006 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4592 3.2158 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6648 3.2684 0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9198 0.5562 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 0.7963 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0598 1.7923 -0.0074 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 -0.5740 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2325 -1.4539 -0.1723 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 -0.7892 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 -1.8803 -0.3715 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -1.2258 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -1.8591 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 -0.0389 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 -0.8350 0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7595 1.8634 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 0.3512 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 4.0867 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1713 -0.5527 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6961 -2.3717 -0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 -1.7163 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.9590 1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8556 -1.6568 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -1.6208 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 7 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 6 1 0 16 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 5 22 1 0 5 23 1 0 10 24 1 0 14 25 1 0 15 26 1 0 15 27 1 0 16 28 1 0 18 29 1 0 18 30 1 0 M END