Ketcher 08142015262D 1 1.00000 0.00000 0 28 33 0 0 0 999 V2000 15.7329 -12.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0420 -13.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0420 -13.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3510 -12.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5420 -11.5851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5420 -13.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0419 -14.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0419 -14.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 -13.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5638 -14.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7547 -13.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8412 -14.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7367 -15.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5457 -15.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4593 -15.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3728 -15.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7111 -15.5992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6246 -15.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5381 -15.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3472 -15.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2426 -14.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3291 -13.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5201 -14.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8232 -15.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3020 -11.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0451 -12.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5099 -10.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9963 -12.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 1 1 0 0 0 3 6 1 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 2 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 15 16 1 0 0 0 16 8 1 0 0 0 7 17 1 0 0 0 17 18 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 18 1 0 0 0 23 6 1 0 0 0 13 24 1 0 0 0 4 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 26 28 1 0 0 0 M END > CHEBI:156313 > erdasporine A > A organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 10 are substituted by a methoxycarbonyl and hydroxy groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus. > 3 > methyl 20-hydroxy-3,13,23-triazahexacyclo[14.7.0.0(2,10).0(4,9).0(11,15).0(17,22)]tricosa-1(16),2(10),4,6,8,11,14,17,19,21-decaene-12-carboxylate > methyl 10-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylate > C22H15N3O3 > 369.380 > 369.11134 > 0 > COC(=O)C1=C2C(=CN1)C1=C(NC3=CC(O)=CC=C13)C1=C2C2=CC=CC=C2N1 > InChI=1S/C22H15N3O3/c1-28-22(27)21-18-13(9-23-21)16-12-7-6-10(26)8-15(12)25-19(16)20-17(18)11-4-2-3-5-14(11)24-20/h2-9,23-26H,1H3 > WIKWOGJGVQUVBW-UHFFFAOYSA-N > 24171465 $$$$