HMDB0060609 RDKit 3D Orciprenaline-3-O-sulfate 36 36 0 0 0 0 0 0 0 0999 V2000 -4.4041 -0.9384 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9578 0.4334 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2218 0.7233 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6177 0.7555 -0.9562 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 0.0190 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2591 0.5694 -0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 1.9358 -0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 -0.0374 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8568 -1.2455 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 -1.7861 1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -3.0182 1.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1532 -1.0802 1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 0.1378 0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4232 0.8748 0.5212 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5086 0.6091 -0.7552 S 0 0 0 0 0 6 0 0 0 0 0 0 5.4265 -0.8266 -1.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9248 0.9016 -0.3134 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1324 1.5494 -2.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1008 0.6444 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 -1.7404 -0.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6992 -1.0284 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3158 -1.1619 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6155 1.1588 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5582 1.5328 1.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2746 1.0207 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -0.1957 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 1.7635 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 0.1586 0.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 -1.0660 -0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 0.4997 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0578 1.9466 0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 -1.8080 0.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 -3.8762 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 -1.4586 1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 2.4464 -1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 1.5870 -0.5834 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 13 19 2 0 19 8 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 18 35 1 0 19 36 1 0 M END