null CDK 0224162334 null 30 34 0 0 0 0 0 0 0 0999 V2000 4.3529 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5459 -1.7143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 -2.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -2.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 -2.0573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1869 -1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -0.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 1.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 0.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 2.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4623 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2488 1.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 1.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 0.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3377 0.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 -0.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 -0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -1.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 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 9 10 2 0 0 0 0 10 5 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 11 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 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 12 1 0 0 0 0 9 26 1 0 0 0 0 26 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 7 1 0 0 0 0 M END > CHEBI:110185 > 6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one > 2 > C22H23NO7 > 413.421 > 413.14745 > 0 > CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3 > InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3 > AKNNEGZIBPJZJG-UHFFFAOYSA-N > LSM-21629 $$$$