KEGG:C12116 Esmeraldic acid ISISHOST05180423312D 1 1.00000 0.00000 14205 39 45 0 0 0 999 V2000 3.6417 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 5.0699 -9.7958 0.0000 C 0 0 0 0 0 0 0 0 0 4.3579 -9.3833 0.0000 C 0 0 0 0 0 0 0 0 0 3.6417 -10.6208 0.0000 C 0 0 0 0 0 0 0 0 0 2.9263 -11.0348 0.0000 N 0 0 0 0 0 0 0 0 0 3.6434 -12.2738 0.0000 C 0 0 0 0 0 0 0 0 0 2.9312 -11.8609 0.0000 C 0 0 0 0 0 0 0 0 0 2.2175 -12.2711 0.0000 C 0 0 0 0 0 0 0 0 0 2.2160 -13.0943 0.0000 C 0 0 0 0 0 0 0 0 0 2.9281 -13.5073 0.0000 C 0 0 0 0 0 0 0 0 0 3.6418 -13.0970 0.0000 C 0 0 0 0 0 0 0 0 0 5.0699 -10.6208 0.0000 C 0 0 0 0 0 0 0 0 0 4.3558 -11.0298 0.0000 C 0 0 0 0 0 0 0 0 0 4.3530 -11.8527 0.0000 N 0 0 3 0 0 0 0 0 0 5.7811 -11.0347 0.0000 C 0 0 3 0 0 0 0 0 0 5.7783 -11.8576 0.0000 C 0 0 0 0 0 0 0 0 0 5.0671 -12.2627 0.0000 C 0 0 0 0 0 0 0 0 0 5.0625 -13.0811 0.0000 C 0 0 0 0 0 0 0 0 0 5.7689 -13.4944 0.0000 C 0 0 0 0 0 0 0 0 0 6.4847 -12.2708 0.0000 C 0 0 0 0 0 0 0 0 0 6.4791 -13.0873 0.0000 C 0 0 0 0 0 0 0 0 0 7.1834 -13.5004 0.0000 N 0 0 0 0 0 0 0 0 0 7.1946 -11.8674 0.0000 N 0 0 0 0 0 0 0 0 0 7.8989 -12.2805 0.0000 C 0 0 0 0 0 0 0 0 0 7.8915 -13.0957 0.0000 C 0 0 0 0 0 0 0 0 0 8.5938 -13.5097 0.0000 C 0 0 0 0 0 0 0 0 0 9.3035 -13.1085 0.0000 C 0 0 0 0 0 0 0 0 0 9.3109 -12.2933 0.0000 C 0 0 0 0 0 0 0 0 0 8.6086 -11.8793 0.0000 C 0 0 0 0 0 0 0 0 0 6.4970 -10.6247 0.0000 C 0 0 0 0 0 0 0 0 0 8.6161 -11.0544 0.0000 C 0 0 3 0 0 0 0 0 0 9.3342 -10.6483 0.0000 O 0 0 0 0 0 0 0 0 0 7.9054 -10.6354 0.0000 C 0 0 0 0 0 0 0 0 0 5.7652 -14.3194 0.0000 C 0 0 0 0 0 0 0 0 0 5.0489 -14.7287 0.0000 O 0 0 0 0 0 0 0 0 0 6.4779 -14.7351 0.0000 O 0 0 0 0 0 0 0 0 0 1.5038 -11.8573 0.0000 C 0 0 0 0 0 0 0 0 0 1.5054 -11.0323 0.0000 O 0 0 0 0 0 0 0 0 0 0.7886 -12.2684 0.0000 O 0 0 0 0 0 0 0 0 0 16 17 2 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 21 1 0 0 0 20 16 1 0 0 0 13 4 2 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 25 1 0 0 0 24 23 1 0 0 0 23 20 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 6 1 0 0 0 4 5 1 0 0 0 5 7 1 0 0 0 6 14 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 24 1 0 0 0 12 2 2 0 0 0 15 30 1 0 0 0 12 13 1 0 0 0 29 31 1 0 0 0 13 14 1 0 0 0 31 32 1 0 0 0 17 14 1 0 0 0 31 33 1 0 0 0 16 15 1 0 0 0 19 34 1 0 0 0 15 12 1 0 0 0 34 35 2 0 0 0 2 3 1 0 0 0 34 36 1 0 0 0 3 1 2 0 0 0 8 37 1 0 0 0 37 38 1 0 0 0 1 4 1 0 0 0 37 39 2 0 0 0 M END