Ketcher 02091808252D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 7.5123 -11.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -10.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 -10.4882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5123 -12.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -10.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7923 -11.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -12.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -12.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -11.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -13.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0882 -11.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 -12.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2239 -14.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 -14.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9482 -11.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -15.2247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0797 -13.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3136 -15.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9439 -12.4935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8039 -10.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1385 -15.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8266 -14.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0797 -12.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2114 -13.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5915 -10.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5844 -10.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6586 -10.0029 0.0000 Cl 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 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 2 27 1 1 0 0 M END > CHEBI:136460 > dehydrojaconine > A pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine and the 5-methyl group has been replaced by methylene. > 3 > (3R,6R,14aR,14bR)-3-[(1R)-1-chloroethyl]-3,6-dihydroxy-6-methyl-5-methylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione > C18H24ClNO6 > 385.840 > 385.12922 > 0 > [C@@]1([C@@H](C)Cl)(O)C(O[C@H]2[C@@]3(N(CC=C3COC([C@](C(C1)=C)(C)O)=O)CC2)[H])=O > InChI=1S/C18H24ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,11,13-14,23-24H,1,5-9H2,2-3H3/t11-,13-,14-,17-,18+/m1/s1 > NAORWVQLZFUIRD-LBTDBDNISA-N > 21159354 $$$$