Mrv1652309122212542D 38 42 0 0 1 0 999 V2000 5.0013 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6737 -1.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6131 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8006 -0.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2703 -1.5332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5421 -1.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0724 -2.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7903 -2.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 -1.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4152 -2.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2277 -2.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 -0.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 -1.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -2.3085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0222 -2.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -2.4517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6471 -3.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8953 -1.8197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7077 -1.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 2 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 1 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 17 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 6 0 0 0 9 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 29 36 1 0 0 0 0 36 37 1 0 0 0 0 6 37 1 0 0 0 0 37 38 2 0 0 0 0 M END > NP0327906 > NP-MRD > CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C=C3[C@](O)([C@@H]3O[C@@H](OC(=O)C4=CC=CC=C4)[C@H](O)[C@H](O)[C@H]3O)C2=C1 > InChI=1S/C27H24O11/c1-11-7-14-18(16(29)8-11)20(31)19-15(9-13(28)10-17(19)30)27(14,36)24-22(33)21(32)23(34)26(37-24)38-25(35)12-5-3-2-4-6-12/h2-10,21-24,26,28-30,32-34,36H,1H3/t21-,22-,23-,24-,26+,27+/m1/s1 > DPNMTGCWLLQQIW-ZKESZXJYSA-N > C27H24O11 > 524.478 > 524.131861593 > 10 > 62 > 50.21364253030562 > 0 > 7 > 0 > 0 > (2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[(9S)-2,4,5,9-tetrahydroxy-7-methyl-10-oxo-9,10-dihydroanthracen-9-yl]oxan-2-yl benzoate > 3.2453556893333335 > 0 > 5 > 0 > 8.651154179483326 > 7.650975949388358 > -3.667179040690229 > 194.20999999999998 > 130.23280000000003 > 4 > 0 > (2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-[(9S)-2,4,5,9-tetrahydroxy-7-methyl-10-oxoanthracen-9-yl]oxan-2-yl benzoate > 0 > NP0327906 > (2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-[(9s)-2,4,5,9-tetrahydroxy-7-methyl-10-oxoanthracen-9-yl]oxan-2-yl benzoate $$$$