134063685 CDK 1019211605 40 45 0 0 0 0 0 0 0 0999 V2000 5.7925 -1.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 1.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2141 4.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8391 -4.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4544 -3.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7464 0.3774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8984 -0.8824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 1.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4915 -0.4071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1943 0.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6845 -0.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1325 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0565 -1.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 0.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1640 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4493 1.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0596 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4481 -1.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2562 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 1.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2557 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1521 3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5112 2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8054 -1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9592 3.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5474 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6129 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0971 -3.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1626 -2.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -3.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6621 4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3888 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2696 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 31 1 0 0 0 0 3 37 1 0 0 0 0 4 34 1 0 0 0 0 4 38 1 0 0 0 0 5 36 1 0 0 0 0 5 39 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 40 1 6 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 28 1 0 0 0 0 23 29 2 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 26 27 2 0 0 0 0 28 31 2 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 32 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:182775 > (12As)-2-(3,4-dimethoxyphenethyl)-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione > 2 > (8R)-6-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione > C31H31N3O5 > 525.605 > 525.22637 > 0 > O=C1N(CC(=O)N2[C@@]1(CC3=C(NC=4C3=CC=CC4)C2C5=CC=C(OC)C=C5)[H])CCC6=CC(OC)=C(OC)C=C6 > InChI=1S/C31H31N3O5/c1-37-21-11-9-20(10-12-21)30-29-23(22-6-4-5-7-24(22)32-29)17-25-31(36)33(18-28(35)34(25)30)15-14-19-8-13-26(38-2)27(16-19)39-3/h4-13,16,25,30,32H,14-15,17-18H2,1-3H3/t25-,30?/m1/s1 > SVKSSWZXLVXEJI-GOWJNXQMSA-N $$$$