Mrv1652309082205012D 30 33 0 0 1 0 999 V2000 6.9246 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -1.3646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 -0.5396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4957 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 0.6979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7812 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0768 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 3.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 0.6979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6391 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -0.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6391 -0.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 1 0 0 0 19 23 2 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 9 24 1 0 0 0 0 24 25 2 0 0 0 0 5 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 3 29 1 0 0 0 0 29 30 1 1 0 0 0 M END > NP0260767 > NP-MRD > CN[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)C1=CC=C2C(=O)C3=C(SC(C)=C3C(=O)C2=C1O)[C@@H](C)O > InChI=1S/C22H25NO6S/c1-8(24)22-17-15(10(3)30-22)21(28)16-12(20(17)27)6-5-11(19(16)26)14-7-13(23-4)18(25)9(2)29-14/h5-6,8-9,13-14,18,23-26H,7H2,1-4H3/t8-,9-,13-,14-,18-/m1/s1 > JGHOHVUBTOPRAL-XKBPWBJDSA-N > C22H25NO6S > 431.5 > 431.140258703 > 7 > 55 > 44.63036798470064 > 1 > 4 > 0 > 1 > 5-hydroxy-6-[(2R,4R,5S,6R)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-[(1R)-1-hydroxyethyl]-3-methyl-4H,9H-naphtho[2,3-c]thiophene-4,9-dione > 1.6988239474802491 > 0 > 4 > 1 > 13.409673314362575 > 7.711628518966756 > 9.350107391445055 > 116.08999999999999 > 113.22239999999996 > 3 > 1 > 5-hydroxy-6-[(2R,4R,5S,6R)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-[(1R)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione > 0 > NP0260767 > 5-hydroxy-6-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-1-[(1r)-1-hydroxyethyl]-3-methylnaphtho[2,3-c]thiophene-4,9-dione $$$$