Mrv1652309042203032D 24 26 0 0 1 0 999 V2000 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 O 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 4.2868 -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 3.5724 -1.2375 0.0000 O 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 2.8579 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 2.1434 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 1.4289 0.8250 0.0000 C 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 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 1 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 1 0 0 0 0 0 0 0 0 0 -0.8125 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 1.6002 0.0000 O 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 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 1 0 0 0 21 24 1 0 0 0 0 13 24 1 0 0 0 0 M END > NP0185589 > NP-MRD > COC1=CC(O)=C2C(=O)C3=C(C[C@](C)(O)[C@H](O)[C@H]3O)C(=O)C2=C1O > InChI=1S/C16H16O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,14-15,17,19,21-23H,4H2,1-2H3/t14-,15+,16-/m0/s1 > BYJLISMHYRCXPR-XHSDSOJGSA-N > C16H16O8 > 336.296 > 336.084517475 > 8 > 40 > 32.112957669509484 > 1 > 5 > 0 > 1 > (1S,2R,3S)-1,2,3,5,8-pentahydroxy-6-methoxy-3-methyl-1,2,3,4,9,10-hexahydroanthracene-9,10-dione > 0.1459868349999993 > 0 > 3 > 0 > 10.582335159411409 > 8.632154388759782 > -3.2899553229287095 > 144.51999999999998 > 81.59889999999999 > 1 > 1 > (1S,2R,3S)-1,2,3,5,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione > 0 > NP0185589 > (1s,2r,3s)-1,2,3,5,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione $$$$