CDK 1030232201 38 42 0 0 0 0 0 0 0 0999 V2000 4.7578 -3.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9373 -3.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 -4.2468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 -2.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -4.1606 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6239 -5.0538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7813 -2.7394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -4.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 -3.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2963 -4.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -5.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -5.4663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9072 -2.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3944 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 -3.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -6.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -6.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -5.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 -1.6314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 -2.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -7.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -6.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -6.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -5.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 -5.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2129 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1267 -2.7874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7521 -7.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -7.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 -7.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7397 -3.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5683 -4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2918 -2.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5467 -3.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1813 -4.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -4.4435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0098 -5.5054 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 2 4 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 6 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 6 0 0 0 13 6 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 1 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 2 0 0 0 0 23 30 2 0 0 0 0 24 31 2 0 0 0 0 28 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 7 10 1 0 0 0 0 11 13 1 0 0 0 0 17 18 2 0 0 0 0 27 28 1 0 0 0 0 29 30 1 0 0 0 0 M END > CHEBI:211804 > Roquefortine G > 2 > (1S,4E,7R,9R)-7-methoxy-9-(2-methylbut-3-en-2-yl)-4-[[1-(2-methyl-4-oxopentan-2-yl)imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione > C29H35N5O4 > 517.630 > 517.26890 > 0 > O=C/1N2[C@](OC)(C(=O)N\C1=C\C=3N=CN(C3)C(CC(=O)C)(C)C)C[C@@]4([C@H]2NC=5C=CC=CC45)C(C=C)(C)C > InChI=1S/C29H35N5O4/c1-8-26(3,4)28-16-29(38-7)25(37)32-22(13-19-15-33(17-30-19)27(5,6)14-18(2)35)23(36)34(29)24(28)31-21-12-10-9-11-20(21)28/h8-13,15,17,24,31H,1,14,16H2,2-7H3,(H,32,37)/b22-13+/t24-,28+,29+/m0/s1 > RULJMCDOZJZMNB-ZZXIHXDTSA-N $$$$