CDK 1030232200 35 41 0 0 0 0 0 0 0 0999 V2000 0.9340 -2.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8522 -1.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5844 -1.3483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0941 -1.3824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3222 -1.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4483 -0.2996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0941 -2.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -0.5618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 -1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 -2.0176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4082 -1.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6218 -0.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2787 -0.0219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 -0.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 -1.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 -1.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9764 -0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7084 -1.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4911 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3816 -2.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 -0.3766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 -1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4679 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -0.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8248 0.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8027 -1.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 -3.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8889 -2.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3739 -3.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 -2.6025 0.0000 C 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 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 6 0 0 0 4 7 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 6 0 0 0 11 5 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 6 0 0 0 11 19 1 0 0 0 0 20 12 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 2 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 1 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 8 13 1 0 0 0 0 11 14 1 0 0 0 0 15 16 1 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 27 29 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:207026 > Gartryprostatin B > 2 > (1R,13S,16R,22S,25S)-16-hydroxy-25-(hydroxymethyl)-7,7,26,26-tetramethyl-6,24-dioxa-12,14,20-triazaheptacyclo[11.10.3.01,13.02,11.05,10.014,22.016,20]hexacosa-2(11),3,5(10),8-tetraene-15,21-dione > C26H31N3O6 > 481.549 > 481.22129 > 0 > O=C1N2[C@]34NC=5C6=C(OC(C)(C)C=C6)C=CC5[C@]3(O[C@@H](C4(C)C)CO)C[C@H]2C(=O)N7[C@@]1(O)CCC7 > InChI=1S/C26H31N3O6/c1-22(2)10-8-14-17(34-22)7-6-15-19(14)27-26-23(3,4)18(13-30)35-24(15,26)12-16-20(31)28-11-5-9-25(28,33)21(32)29(16)26/h6-8,10,16,18,27,30,33H,5,9,11-13H2,1-4H3/t16-,18+,24+,25+,26-/m0/s1 > NWGFWOCPCGSAFK-NKSHKIKBSA-N $$$$