114777 -OEChem-04192409552D 65 70 0 1 0 0 0 0 0999 V2000 9.4109 -0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -0.5766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8188 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9339 1.4342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5507 4.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3324 3.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 4.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6221 -3.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3921 -1.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 3.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 -3.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 -4.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5507 0.0024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6790 -0.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2881 0.3542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5623 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 0.5033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6674 -1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9116 1.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6758 -0.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5276 -1.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8865 0.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0411 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3993 -1.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 2.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -1.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4683 1.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4777 2.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5623 3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4683 2.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8865 3.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4995 -3.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3034 -2.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9116 2.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 -2.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3914 -3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2994 -3.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -2.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7822 -3.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 0.4189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 -0.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 0.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6862 0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0581 -1.3727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4486 -2.0676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 0.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1467 -0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0245 0.3091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0041 1.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 2.0370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2783 -0.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8404 -1.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 1.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0395 -2.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3818 -4.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 -3.4695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 4.3878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8706 2.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6545 4.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6078 -4.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1568 -4.1931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7665 -4.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 25 1 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 14 3 1 1 0 0 0 3 53 1 0 0 0 0 17 4 1 1 0 0 0 4 55 1 0 0 0 0 5 30 1 0 0 0 0 5 59 1 0 0 0 0 6 31 1 0 0 0 0 6 60 1 0 0 0 0 7 32 1 0 0 0 0 7 61 1 0 0 0 0 8 33 1 0 0 0 0 8 62 1 0 0 0 0 9 34 1 0 0 0 0 9 63 1 0 0 0 0 10 36 2 0 0 0 0 11 39 1 0 0 0 0 11 64 1 0 0 0 0 12 41 1 0 0 0 0 12 65 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 42 1 6 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 28 2 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 29 2 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 25 1 0 0 0 0 22 33 2 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 34 2 0 0 0 0 25 35 2 0 0 0 0 26 30 1 0 0 0 0 26 32 2 0 0 0 0 27 37 2 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 29 36 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 32 36 1 0 0 0 0 33 38 1 0 0 0 0 34 40 1 0 0 0 0 35 39 1 0 0 0 0 35 54 1 0 0 0 0 37 41 1 0 0 0 0 37 56 1 0 0 0 0 38 39 2 0 0 0 0 38 57 1 0 0 0 0 40 41 2 0 0 0 0 40 58 1 0 0 0 0 M END > 114777 > 1 > 1260 > 12 > 9 > 2 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aIECBAAAAACRQAAAGgAACAAADBSgmAIwBoAABgCIAqBSAAICCAAgIAAAiABGCMgNNyKGMRqCeCClwBULuQfA4OwOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-6-one > 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6-benzo[7]annulenone > 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one > 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one > 3,4,5-tris(oxidanyl)-1,8-bis[(2R,3R)-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-6-one > 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxychroman-2-yl]benzocyclohepten-6-one > InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1 > IPMYMEWFZKHGAX-ZKSIBHASSA-N > 0.6 > 564.12677620 > C29H24O12 > 564.5 > C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)C5C(CC6=C(C=C(C=C6O5)O)O)O)O)O > C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)O)O)O > 218 > 564.12677620 > 0 > 41 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 42 6 15 20 5 16 19 8 16 28 8 19 23 8 19 26 8 20 23 8 20 29 8 22 25 8 22 33 8 24 27 8 24 34 8 25 35 8 26 30 8 26 32 8 27 37 8 28 31 8 29 36 8 14 3 5 30 31 8 32 36 8 33 38 8 34 40 8 35 39 8 37 41 8 38 39 8 17 4 5 40 41 8 $$$$