131751175 CDK 0602212313 32 35 0 0 0 0 0 0 0 0999 V2000 4.2915 0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4348 0.5092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4348 2.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 2.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 2.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -2.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -2.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4484 -2.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 -1.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 -0.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 0.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 2.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 1.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 -0.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2915 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5771 2.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0059 -1.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4578 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 -0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4578 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5541 -1.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 -0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 -0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 -1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 -1.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9182 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 -3.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 21 1 0 0 0 0 6 22 2 0 0 0 0 7 26 1 0 0 0 0 7 32 1 0 0 0 0 8 25 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 23 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 23 27 2 0 0 0 0 24 28 2 0 0 0 0 25 29 2 0 0 0 0 26 30 2 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 M END > CHEBI:176133 > 7-Hydroxy-8-O-methylaloin B > 2 > 2,8-dihydroxy-6-(hydroxymethyl)-1-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one > C22H24O10 > 448.424 > 448.13695 > 0 > O1C(C2C3=C(C(=O)C4=C2C=CC(O)=C4OC)C(O)=CC(=C3)CO)C(O)C(O)C(O)C1CO > InChI=1S/C22H24O10/c1-31-21-11(25)3-2-9-14(22-20(30)19(29)17(27)13(7-24)32-22)10-4-8(6-23)5-12(26)15(10)18(28)16(9)21/h2-5,13-14,17,19-20,22-27,29-30H,6-7H2,1H3 > HDIOAZQFHQKMAI-UHFFFAOYSA-N $$$$