Ketcher 02081816582D 1 1.00000 0.00000 0 27 30 0 1 0 999 V2000 16.4558 -11.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5996 -10.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4475 -10.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4558 -12.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3161 -10.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7352 -11.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3161 -12.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5996 -12.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1808 -11.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3161 -13.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0329 -11.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1767 -12.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1682 -14.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5104 -14.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8932 -11.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1808 -15.2299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0244 -13.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2575 -15.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8889 -12.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7492 -10.9993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0831 -15.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7715 -14.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0244 -12.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1556 -13.4672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5360 -10.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5293 -10.1432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1762 -16.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 6 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 10 7 1 1 0 0 9 11 1 0 0 0 9 12 2 0 0 0 10 13 1 0 0 0 10 14 1 0 0 0 11 15 1 0 0 0 13 16 1 0 0 0 13 17 1 0 0 0 14 18 1 0 0 0 15 19 1 0 0 0 15 20 2 0 0 0 16 21 1 0 0 0 17 22 2 0 0 0 17 23 1 0 0 0 2 3 1 6 0 0 16 18 1 0 0 0 19 23 1 0 0 0 21 22 1 0 0 0 13 24 1 6 0 0 25 11 1 0 0 0 11 26 1 1 0 0 16 27 1 0 0 0 M CHG 2 16 1 27 -1 M END > CHEBI:136459 > jacozine N-oxide > A pyrrolizine alkaloid that is jacozine in which the tertiary amino function has been oxidised to the corresponding N-oxide. > 3 > (3S,3'S,6R,14aR,14bR)-6-hydroxy-3',6-dimethyl-5-methylidene-12-oxo-5,6,11,12,13,14,14a,14b-octahydro-2H,9H-spiro[1,6-dioxacyclododecino[2,3,4-gh]pyrrolizine-3,2'-oxirane]-2,7(4H)-dione > C18H23NO7 > 365.378 > 365.14745 > 0 > [C@@]12([C@H](C)O1)C(O[C@H]3[C@@]4([N+](CC=C4COC([C@](C(C2)=C)(C)O)=O)(CC3)[O-])[H])=O > InChI=1S/C18H23NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,11,13-14,22H,1,5-9H2,2-3H3/t11-,13+,14+,17+,18-,19?/m0/s1 > RMTPAMODVDZQGC-HIQZRIJHSA-N > 18220326; 25666592 $$$$