122850 -OEChem-03282414442D 33 35 0 1 0 0 0 0 0999 V2000 6.0682 -0.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 1.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.3846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 2.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -2.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.1154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9343 0.8846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8003 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 1.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 1.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 -1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -2.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 -1.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -0.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 0.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 -1.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 2.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 1.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 -0.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 -2.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 2.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3984 -2.7354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 8 2 1 6 0 0 0 2 27 1 0 0 0 0 3 10 2 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 5 32 1 0 0 0 0 6 21 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 1 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 M END > 122850 > 1 > 392 > 6 > 4 > 1 > AAADccBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgAACAAADBSgmAIwBoAABgCIAqBSAAICCAAkIAAIiAFGCMgNNzaGNRqCeWCl4BULuQfI7OzOIAAACAAIAABAAAAQABAAAAAAAAAAAA== > (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one > (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one > (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one > (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one > (2R,3R)-2-(4-hydroxyphenyl)-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one > (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)chroman-4-one > InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1 > PADQINQHPQKXNL-LSDHHAIUSA-N > 1.8 > 288.06338810 > C15H12O6 > 288.25 > C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O > C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O > 107 > 288.06338810 > 0 > 21 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 13 8 12 14 8 13 17 8 14 18 8 15 19 8 16 20 8 17 18 8 19 21 8 8 2 6 20 21 8 7 9 5 9 15 8 9 16 8 $$$$