Mrv1652309072217222D 32 35 0 0 1 0 999 V2000 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3260 0.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 1.5150 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6985 1.4288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0341 0.6751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1835 2.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0039 2.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 2.2295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8011 2.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 2.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0455 2.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 5 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 6 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 2 32 1 0 0 0 0 13 32 1 0 0 0 0 M END > NP0251992 > NP-MRD > OC[C@@H](O)[C@H]1O[C@@H](OC2=C3OC(=CC(=O)C3=C(O)C=C2O)C2=CC=C(O)C=C2)[C@H](O)[C@H]1O > InChI=1S/C21H20O11/c22-7-13(27)18-16(28)17(29)21(31-18)32-19-12(26)5-10(24)15-11(25)6-14(30-20(15)19)8-1-3-9(23)4-2-8/h1-6,13,16-18,21-24,26-29H,7H2/t13-,16-,17-,18-,21+/m1/s1 > JMFSHKGXVSAJFY-VJPUPKIGSA-N > C21H20O11 > 448.38 > 448.100561464 > 11 > 52 > 42.78837821190337 > 0 > 7 > 0 > 1 > 8-{[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one > 0.1350557186666665 > 0 > 4 > -1 > 8.360882796887273 > 6.956053616153348 > -2.974507095706991 > 186.37 > 107.03919999999998 > 5 > 0 > 8-{[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one > 0 > NP0251992 > 8-{[(2s,3r,4r,5r)-5-[(1r)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one $$$$