CDK 1030232200 24 27 0 0 0 0 0 0 0 0999 V2000 6.1320 1.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 -0.1226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8495 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 -0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7948 -1.7081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3090 0.6410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1649 -2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4629 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0541 1.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -0.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3596 -2.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6877 -0.8786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0202 0.2775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7547 -1.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.9920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8807 -1.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -0.3355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8008 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 7 5 1 0 0 0 0 8 6 1 6 0 0 0 7 9 1 0 0 0 0 7 10 1 1 0 0 0 8 11 1 0 0 0 0 12 8 1 1 0 0 0 9 13 2 0 0 0 0 11 14 2 0 0 0 0 15 12 1 0 0 0 0 16 12 1 6 0 0 0 13 17 1 0 0 0 0 18 14 1 6 0 0 0 15 19 1 6 0 0 0 15 20 1 0 0 0 0 21 16 1 0 0 0 0 18 22 1 0 0 0 0 23 21 1 0 0 0 0 23 24 1 6 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 21 19 1 6 0 0 0 22 23 1 0 0 0 0 M END > CHEBI:209780 > Cyclamenol B > 2 > (1S,2R,4R,7R,8E,13S,14Z,16E,18S,19R,20R)-2-hydroxy-13-methyl-21-oxa-11-azatetracyclo[16.2.1.04,20.07,19]henicosa-5,8,14,16-tetraen-10-one > C20H25NO3 > 327.424 > 327.18344 > 0 > O=C1NC[C@H](C=CC=C[C@H]2[C@@H]3[C@@H](C=C1)C=C[C@H]4C[C@H]([C@H]([C@@H]34)O2)O)C > InChI=1S/C20H25NO3/c1-12-4-2-3-5-16-18-13(8-9-17(23)21-11-12)6-7-14-10-15(22)20(24-16)19(14)18/h2-9,12-16,18-20,22H,10-11H2,1H3,(H,21,23)/b4-2-,5-3+,9-8+/t12-,13+,14-,15+,16-,18-,19+,20+/m0/s1 > UMVKTYCOYYLLPX-RQHWOOGZSA-N $$$$