HMDB0242491 RDKit 3D (2,5-Dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothien... 42 44 0 0 0 0 0 0 0 0999 V2000 6.3316 -1.5213 -1.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 -0.7021 -0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 0.1507 0.4083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4318 1.1010 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 1.5911 1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1962 2.2337 0.5054 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 1.2217 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 0.6361 -1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3896 -0.3063 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 0.2581 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -0.7634 1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -1.1311 0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0517 -2.1381 0.0533 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 -0.3622 0.8714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3264 -0.4747 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 -1.2945 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -2.3151 -1.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1107 -0.9976 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4554 0.0460 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3534 0.3633 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 1.3793 1.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 0.2053 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 -0.4740 -1.4073 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1089 0.0595 1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 1.8973 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 2.4072 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3898 0.7297 2.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8694 1.8196 -1.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3684 1.4938 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 0.1229 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0226 -1.2166 -0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -0.7493 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 0.4649 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 1.2050 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 -1.6041 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1657 -0.2203 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4567 -3.2608 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7613 -1.4693 -1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4336 0.5399 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9331 2.2838 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 -0.4256 0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 -0.7834 -2.3729 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 7 22 1 0 22 23 1 0 23 2 1 0 22 4 1 0 20 15 1 0 3 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 M END