46238888 -OEChem-03282417022D 61 64 0 0 0 0 0 0 0999 V2000 0.0000 5.5317 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 6.0538 7.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 0.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 10.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3054 3.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 10.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 3.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 7.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 0.6305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3839 10.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3839 4.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 8.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 8.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 7.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1878 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 9.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0538 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 9.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 9.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 7.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 7.4135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2938 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 8.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 7.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 8.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 10.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5179 9.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5179 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 10.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 4.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5179 10.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5179 3.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4567 7.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4567 0.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 6.7935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 9.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 8.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 1.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2489 10.7582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2489 3.9646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0548 9.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0548 2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 11.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6519 4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 10.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 4.0054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 6.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 0.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9208 10.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9208 3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 17 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 56 1 0 0 0 0 5 23 1 0 0 0 0 5 57 1 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 30 1 0 0 0 0 8 58 1 0 0 0 0 9 31 1 0 0 0 0 9 59 1 0 0 0 0 10 40 1 0 0 0 0 10 60 1 0 0 0 0 11 41 1 0 0 0 0 11 61 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 22 2 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 23 2 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 24 2 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 15 25 2 0 0 0 0 16 26 2 0 0 0 0 17 27 2 0 0 0 0 20 32 2 0 0 0 0 20 34 1 0 0 0 0 21 33 2 0 0 0 0 21 35 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 30 1 0 0 0 0 26 44 1 0 0 0 0 27 31 1 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 32 36 1 0 0 0 0 32 48 1 0 0 0 0 33 37 1 0 0 0 0 33 49 1 0 0 0 0 34 38 2 0 0 0 0 34 50 1 0 0 0 0 35 39 2 0 0 0 0 35 51 1 0 0 0 0 36 40 2 0 0 0 0 36 52 1 0 0 0 0 37 41 2 0 0 0 0 37 53 1 0 0 0 0 38 40 1 0 0 0 0 38 54 1 0 0 0 0 39 41 1 0 0 0 0 39 55 1 0 0 0 0 M CHG 1 1 2 M END > 46238888 > 1 > 411 > 10 > 6 > 2 > AAADceB4PAAAAAgAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAACBVAAAGgAACAAADASgmAIwBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqAcWAl4BUIuYeI7PzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one > calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one > calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one > calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one > calcium;3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one > calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromone > InChI=1S/2C15H10O5.Ca/c2*16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19;/h2*1-7,16-18H;/q;;+2 > MSOOTFCQFVNKDZ-UHFFFAOYSA-N > 580.0682377 > C30H20CaO10+2 > 580.5 > C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.[Ca+2] > C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O.[Ca+2] > 174 > 580.0682377 > 2 > 41 > 0 > 0 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 12 16 8 12 18 8 12 22 8 13 17 8 13 19 8 13 23 8 14 18 8 14 24 8 15 19 8 15 25 8 16 26 8 17 27 8 2 16 8 2 24 8 20 32 8 20 34 8 21 33 8 21 35 8 22 28 8 23 29 8 26 30 8 27 31 8 28 30 8 29 31 8 3 17 8 3 25 8 32 36 8 33 37 8 34 38 8 35 39 8 36 40 8 37 41 8 38 40 8 39 41 8 $$$$