Mrv1652304282204342D 26 29 0 0 1 0 999 V2000 5.3052 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0352 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2251 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 1.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3347 0.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8748 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6048 -0.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5246 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -0.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0957 0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 1.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 1.9716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 2.1275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3347 2.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 3.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9845 3.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -1.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 -0.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1154 0.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 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 4 10 1 0 0 0 0 10 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 3 24 1 0 0 0 0 2 25 1 0 0 0 0 1 26 1 0 0 0 0 M END > NP0056987 > NP-MRD > CC(=O)O[C@@H]1OC2=CC=CC=C2C2=C1OC1=CC(O)=C(O)C(O)=C1C2=O > InChI=1S/C18H12O8/c1-7(19)24-18-17-12(8-4-2-3-5-10(8)26-18)15(22)13-11(25-17)6-9(20)14(21)16(13)23/h2-6,18,20-21,23H,1H3/t18-/m1/s1 > IFAQBCFCOHMCTL-GOSISDBHSA-N > C18H12O8 > 356.286 > 356.053217346 > 7 > 38 > 33.793680709422816 > 1 > 3 > 0 > 1 > (6S)-9,10,11-trihydroxy-12-oxo-6,12-dihydro-5,7-dioxatetraphen-6-yl acetate > 2.85 > 2.669842404666666 > -3.40 > 0 > 4 > -1 > 8.27916562197539 > 6.6923142382904794 > -4.8977031243604 > 122.52000000000001 > 87.429 > 2 > 1 > 1.42e-01 g/l > (6S)-9,10,11-trihydroxy-12-oxo-6H-5,7-dioxatetraphen-6-yl acetate > 0 > NP0056987 > 6a,12a-Dehydro-9,10,11-trihydroxy-6-acetoxyrotenone $$$$