HMDB0247000 RDKit 3D Desacetylcephalothin 37 39 0 0 0 0 0 0 0 0999 V2000 -3.3791 1.6235 0.5311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 0.8871 0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 -0.6078 0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 -0.7681 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 -0.8571 1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3799 -1.0012 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6585 -1.0477 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -0.8919 -1.0783 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2295 1.2447 -0.3821 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 1.6152 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 1.9941 0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 2.8311 1.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9568 1.1186 -0.3219 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2783 0.5461 -0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 1.4966 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5786 1.1790 0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 2.8915 -0.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -0.7477 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7398 -1.4108 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 -2.2687 0.9128 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 -1.7338 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 -1.0784 -0.8050 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 0.6266 -1.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 -1.1977 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3399 -0.8812 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8095 -0.8196 2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2343 -1.0888 1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6491 -1.1612 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 2.5968 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 2.4804 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 3.3537 -0.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8463 -2.0842 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 -0.7726 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 -1.9562 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -2.3512 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5893 -2.4401 -1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 0.6809 -2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 2 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 2 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 22 23 1 0 8 4 1 0 23 10 1 0 23 13 1 0 3 24 1 0 3 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 17 31 1 0 19 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 21 36 1 0 23 37 1 0 M END