44257198 CDK 1106202311 32 35 0 0 0 0 0 0 0 0999 V2000 4.2364 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -0.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 1.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 1.9700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7163 3.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5219 -1.7425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9508 -1.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -0.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -0.9175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1173 0.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8648 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8648 1.5747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6654 0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5777 1.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 1.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5745 2.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2937 1.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2874 3.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0066 1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 2.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4324 2.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 14 2 1 1 0 0 0 2 20 1 0 0 0 0 10 3 1 1 0 0 0 11 4 1 6 0 0 0 5 12 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 15 1 0 0 0 0 8 25 1 0 0 0 0 8 31 1 0 0 0 0 9 30 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:166616 > Dichotosin > 2 > (3S,4S,6S)-2-(hydroxymethyl)-6-[[(2S)-7-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-5-yl]oxy]oxane-3,4,5-triol > C23H28O9 > 448.468 > 448.17333 > 0 > O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3CC[C@H](OC3C=C(OC)C2)C4=CC=C(OC)C=C4)CO > InChI=1S/C23H28O9/c1-28-13-5-3-12(4-6-13)16-8-7-15-17(30-16)9-14(29-2)10-18(15)31-23-22(27)21(26)20(25)19(11-24)32-23/h3-6,9-10,16,19-27H,7-8,11H2,1-2H3/t16-,19?,20+,21-,22?,23+/m0/s1 > MPDDNOZYQCUCDA-VXRMHVKASA-N > LMPK12020272 $$$$