Ketcher 04301511432D 1 1.00000 0.00000 0 41 46 0 1 0 999 V2000 8.2541 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9634 -3.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 -1.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3853 -2.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 -2.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8225 -4.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 -4.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0262 -1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4675 -2.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2985 -1.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6803 -3.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0435 -3.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8263 -5.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 -5.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2464 -3.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0464 -1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5370 -4.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -5.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 -5.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3896 -4.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5407 -5.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3962 -3.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6853 -6.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9722 -6.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3999 -5.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2554 -4.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3925 -2.8057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2554 -5.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4013 -6.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1107 -3.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2517 -3.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1145 -5.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2591 -6.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9699 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9737 -5.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1182 -6.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8291 -3.7886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8329 -5.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8366 -6.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6920 -5.2729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 1 0 0 2 6 1 0 0 0 2 7 2 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 3 10 1 0 0 0 4 11 1 0 0 0 5 12 2 0 0 0 5 13 1 0 0 0 6 11 1 0 0 0 6 14 2 0 0 0 7 15 1 0 0 0 7 16 1 0 0 0 8 17 1 0 0 0 11 18 2 0 0 0 12 17 1 0 0 0 14 19 1 0 0 0 14 20 1 0 0 0 15 20 2 0 0 0 16 21 1 0 0 0 18 22 1 0 0 0 18 23 1 0 0 0 19 22 2 0 0 0 19 24 1 0 0 0 20 25 1 0 0 0 22 26 1 0 0 0 23 27 1 0 0 0 23 28 1 6 0 0 26 29 1 0 0 0 26 30 2 0 0 0 27 29 1 0 0 0 27 31 1 0 0 0 27 32 1 6 0 0 29 33 1 0 0 0 29 34 1 6 0 0 31 35 1 0 0 0 33 36 1 0 0 0 33 37 2 0 0 0 35 36 2 0 0 0 35 38 1 0 0 0 36 39 1 0 0 0 39 40 2 0 0 0 39 41 1 0 0 0 M END > CHEBI:85616 > viridicatumtoxin > A tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. > 3 > viridicatumtoxin A; SC 28762; NSC 159628 > (1S,7a'S,11a'S,12'S)-5',6',7a',10',11a',12'-hexahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-7',7a',8',11',11a',12'-hexahydro-1'H-spiro[cyclohex-2-ene-1,2'-cyclopenta[de]tetracene]-9'-carboxamide > C30H31NO10 > 565.56780 > 565.19480 > 0 > COc1cc(O)c2c(O)c3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C(O)C[C@]4(O)[C@@H](O)c3c3C[C@@]4(c1c23)C(C)=CCCC4(C)C > InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32-35,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1 > SUWQGLGDFGHZNH-WBWZXODPSA-N > 2934660 > 39277-41-3 > 2934660 > 39277-41-3 > 18204818; 22590971; 23168407; 24287995; 25356913; 25706180; 4122267 $$$$