160115 -OEChem-10101305022D 60 65 0 1 0 0 0 0 0999 V2000 3.7702 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7985 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -3.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 3.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0602 -0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5084 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -3.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 3.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -3.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7869 3.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1725 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1725 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9045 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9045 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.0138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7045 1.0138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7045 2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7985 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 1.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3725 2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5686 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7009 0.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8677 -0.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3154 1.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9136 2.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 -1.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -2.6391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 -0.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8367 2.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -2.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 -0.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1044 0.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 0.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8807 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5754 3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 -0.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9702 0.8184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 -3.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7568 3.8854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 27 1 0 0 0 0 3 55 1 0 0 0 0 4 28 1 0 0 0 0 4 56 1 0 0 0 0 5 31 1 0 0 0 0 5 57 1 0 0 0 0 6 32 1 0 0 0 0 6 58 1 0 0 0 0 7 33 1 0 0 0 0 7 59 1 0 0 0 0 8 34 1 0 0 0 0 8 60 1 0 0 0 0 9 29 2 0 0 0 0 10 30 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 26 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 32 2 0 0 0 0 15 27 2 0 0 0 0 15 33 1 0 0 0 0 16 28 2 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 28 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 18 29 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 30 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 29 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 46 1 0 0 0 0 26 45 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 48 1 0 0 0 0 36 47 1 0 0 0 0 37 51 1 0 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 38 49 1 0 0 0 0 38 50 1 0 0 0 0 38 54 1 0 0 0 0 M END > 160115 > 1 > 518.46828 > 518.121297 > 518.121297 > C28H22O10 > InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3 > JGQBYBXYRUCBQY-UHFFFAOYSA-N > 4.8 > CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(CC6=O)C)O)O)O)O)O > CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(CC6=O)C)O)O)O)O)O > 5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one > 5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one > 5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g][1]benzopyran-9-yl)-2,3-dihydrobenzo[g][1]benzopyran-4-one > 5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-4-keto-2-methyl-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one > 2-methyl-9-[2-methyl-5,6,8-tris(oxidanyl)-4-oxidanylidene-2,3-dihydrobenzo[g]chromen-9-yl]-5,6,8-tris(oxidanyl)-2,3-dihydrobenzo[g]chromen-4-one > 6 > 10 > 1 > 869 > 174 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAADRVAAAGgAACAAADBSgmAIyBsAABgCIAqBSAAACCAAkIAAAiAEGCMgMJzaGNBqCeWCl4BUIuQfI7PzO4AADCAAYAADAAAYQADAAAAAAAAAAAA== > 0 > 38 > 0 > 2 > 0 > 0 > 0 > 1 > 996 > 1 3 > 11 13 8 11 15 8 11 26 8 12 14 8 12 16 8 12 25 8 13 31 8 14 32 8 15 27 8 15 33 8 16 28 8 16 34 8 17 20 8 17 28 8 18 19 8 18 27 8 19 26 8 20 25 8 21 37 3 22 38 3 31 35 8 32 36 8 33 35 8 34 36 8 $$$$