HMDB0244682 RDKit 3D 5-Carboxytetramethylrhodamine succinimidyl ester 64 68 0 0 0 0 0 0 0 0999 V2000 -5.6600 4.5092 0.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2166 4.6221 0.2048 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5887 5.9204 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4283 3.4444 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0638 3.5488 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3094 2.3751 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 1.1283 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 -0.0081 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 0.0584 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9598 0.0649 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3331 0.1194 1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 0.1676 0.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 0.2201 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 0.2264 1.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4146 0.2656 -0.6784 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 0.3152 -0.4807 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6082 1.3561 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2205 2.5295 0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0037 0.8840 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8644 -0.6203 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 -0.7854 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4598 -1.7373 -1.5282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4859 0.1619 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 0.1073 -1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 0.1011 -2.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 0.0541 -2.4187 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 0.1466 -3.5081 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.7169 -1.2287 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -2.3635 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6112 -3.5766 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -3.6810 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5331 -4.8511 0.0623 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.9676 -5.0165 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -6.0162 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 -2.5282 0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -1.2896 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 -0.1711 0.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2792 1.0066 0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0050 2.1812 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1391 5.5051 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0236 3.8634 -0.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 4.0572 1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 5.9365 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 6.6662 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2252 6.1496 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 4.5179 0.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 2.4262 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3632 0.0265 2.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 0.1253 2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3907 1.1403 1.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6819 1.2666 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7469 -1.1099 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 -0.9872 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 0.2024 -1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1249 -2.2710 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -4.4782 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4418 -4.4347 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -6.0732 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 -4.7392 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -6.0221 0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2555 -6.9562 -0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9952 -5.9959 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8639 -2.6063 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1015 2.1500 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 12 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 8 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 3 32 33 1 0 32 34 1 0 31 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 4 1 0 38 7 1 0 24 9 1 0 36 28 1 0 21 16 1 0 1 40 1 0 1 41 1 0 1 42 1 0 3 43 1 0 3 44 1 0 3 45 1 0 5 46 1 0 6 47 1 0 10 48 1 0 11 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 23 54 1 0 29 55 1 0 30 56 1 0 33 57 1 0 33 58 1 0 33 59 1 0 34 60 1 0 34 61 1 0 34 62 1 0 35 63 1 0 39 64 1 0 M CHG 2 27 -1 32 1 M END