21721954 CDK 0629221555 34 37 0 0 0 0 0 0 0 0999 V2000 4.2364 -0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -3.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 1.7549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5463 0.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2247 1.8086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7040 1.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 2.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.3818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -1.9693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -1.9693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5219 -1.1443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -1.1443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 0.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 0.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8462 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8368 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1175 0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 0.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 1.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6851 1.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 1.3851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2751 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 2.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 1.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 2.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0039 2.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2374 2.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 17 2 1 1 0 0 0 2 19 1 0 0 0 0 13 3 1 1 0 0 0 14 4 1 6 0 0 0 15 5 1 6 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 18 1 0 0 0 0 8 22 1 0 0 0 0 9 24 2 0 0 0 0 10 28 1 0 0 0 0 10 34 1 0 0 0 0 11 31 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 1 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 28 2 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:192521 > Tetrahydroxy-methoxy-flavanone (dihydrorhamnetin) hexoside > 2 > 2-(3,4-dihydroxyphenyl)-3-hydroxy-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one > C22H24O12 > 480.422 > 480.12678 > 0 > O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(C(O)C3=O)C4=CC(O)=C(O)C=C4)C=C(OC)C2)CO > InChI=1S/C22H24O12/c1-31-9-5-12-15(13(6-9)33-22-20(30)18(28)16(26)14(7-23)34-22)17(27)19(29)21(32-12)8-2-3-10(24)11(25)4-8/h2-6,14,16,18-26,28-30H,7H2,1H3/t14-,16-,18+,19?,20-,21?,22-/m1/s1 > QHEZEIJUHUFOEE-GDYLWFCWSA-N $$$$