146798 -OEChem-04232410032D 68 73 0 1 0 0 0 0 0999 V2000 6.7942 -2.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5801 0.6877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8505 0.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 2.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 1.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 3.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9024 -0.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1030 -3.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4977 -3.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -2.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2066 -1.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9425 -0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4782 -0.2174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4933 -0.3910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8201 0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1513 -1.3307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1209 -0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6862 2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4862 2.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4862 1.2015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5801 2.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7789 -1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 1.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1665 -1.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8201 2.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1438 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 2.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 -2.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8195 -1.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4632 -2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5237 -0.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3464 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 -2.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 -0.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1969 -1.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2105 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0823 0.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0784 -0.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9318 0.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 -0.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -1.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0237 1.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0237 1.5105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9737 3.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1755 3.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 2.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2399 0.2674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -3.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4296 -1.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -2.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 -0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3479 3.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -0.6097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2206 1.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 1.9787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2832 4.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4874 -0.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6204 0.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -3.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -4.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 -2.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4807 -0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 14 3 1 1 0 0 0 3 51 1 0 0 0 0 20 4 1 6 0 0 0 4 56 1 0 0 0 0 5 24 1 0 0 0 0 5 59 1 0 0 0 0 6 26 1 0 0 0 0 6 60 1 0 0 0 0 7 27 1 0 0 0 0 7 61 1 0 0 0 0 8 33 1 0 0 0 0 8 64 1 0 0 0 0 9 37 1 0 0 0 0 9 65 1 0 0 0 0 10 39 1 0 0 0 0 10 66 1 0 0 0 0 11 40 1 0 0 0 0 11 67 1 0 0 0 0 12 42 1 0 0 0 0 12 68 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 1 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 6 0 0 0 16 45 1 0 0 0 0 17 23 1 0 0 0 0 17 27 2 0 0 0 0 18 19 2 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 21 29 1 1 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 30 2 0 0 0 0 24 28 1 0 0 0 0 25 32 2 0 0 0 0 25 34 1 0 0 0 0 26 28 2 0 0 0 0 27 31 1 0 0 0 0 28 50 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 33 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 37 1 0 0 0 0 32 54 1 0 0 0 0 34 38 2 0 0 0 0 34 55 1 0 0 0 0 35 40 1 0 0 0 0 35 57 1 0 0 0 0 36 41 2 0 0 0 0 36 58 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 62 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 63 1 0 0 0 0 M END > 146798 > 1 > 925 > 12 > 10 > 3 > AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0aMGCAAAAAACRVAAAGgAACAAADRSgmAIwBoAABgCAAiBCAAACCAAgIAAIiAAGiIgNNyKGMRqCeCGlwBULuAfA4PwOoAADCAAIQABAAAYQABCAAAAAAAAAAA== > (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chromane-3,5,7-triol > (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol > (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol > (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol > (2R,3S)-2-[3,4-bis(oxidanyl)phenyl]-8-[(2R,3S,4S)-2-[3,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol > (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-4-yl]chroman-3,5,7-triol > InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1 > XFZJEEAOWLFHDH-AVFWISQGSA-N > 2.4 > 578.14242626 > C30H26O12 > 578.5 > C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O > C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O > 221 > 578.14242626 > 0 > 42 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 43 5 15 18 8 15 24 8 16 25 6 17 23 8 17 27 8 18 19 8 19 26 8 21 29 5 23 30 8 24 28 8 25 32 8 25 34 8 26 28 8 27 31 8 29 35 8 29 36 8 14 3 5 30 33 8 31 33 8 32 37 8 34 38 8 35 40 8 36 41 8 37 39 8 38 39 8 20 4 6 40 42 8 41 42 8 $$$$