Ketcher 08301810582D 1 1.00000 0.00000 0 27 32 0 1 0 999 V2000 16.2736 -12.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1449 -7.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7702 -11.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9332 -12.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4784 -11.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0107 -12.5315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1011 -11.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4406 -12.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0633 -12.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1449 -11.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7547 -10.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6334 -11.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1786 -10.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9480 -11.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9480 -10.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7513 -10.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9480 -9.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0872 -11.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1449 -10.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6970 -11.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7513 -11.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6334 -10.1834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1409 -12.7686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7513 -8.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6586 -12.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1449 -8.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7954 -12.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 5 4 2 0 0 0 6 4 1 0 0 0 7 5 1 0 0 0 9 8 1 0 0 0 12 6 2 0 0 0 13 7 2 0 0 0 13 12 1 0 0 0 14 10 1 0 0 0 16 15 2 0 0 0 17 15 1 0 0 0 19 10 1 1 0 0 19 11 1 0 0 0 19 15 1 0 0 0 18 19 1 0 0 0 20 3 1 0 0 0 20 11 1 0 0 0 18 20 1 0 0 0 21 8 1 0 0 0 21 12 1 0 0 0 21 14 1 0 0 0 21 16 1 6 0 0 22 13 1 0 0 0 22 16 1 0 0 0 23 9 1 0 0 0 23 14 1 0 0 0 18 23 1 6 0 0 24 17 2 0 0 0 20 25 1 6 0 0 26 2 1 0 0 0 26 17 1 0 0 0 27 14 1 0 0 0 M END > CHEBI:141935 > Pandine > 2 > C21H24N2O3 > 352.428 > 352.17869 > 0 > CC[C@]1(C[C@@]23CC4([C@]5(CCN4[C@@H]21)C6=CC=CC=C6NC5=C3C(=O)OC)[H])O > InChI=1S/C21H24N2O3/c1-3-20(25)11-19-10-14-21(8-9-23(14)18(19)20)12-6-4-5-7-13(12)22-16(21)15(19)17(24)26-2/h4-7,14,18,22,25H,3,8-11H2,1-2H3/t14?,18-,19+,20+,21-/m0/s1 > RWIBVEZSMNDHAB-VQAUZTJOSA-N $$$$