Mrv0541 01191511372D 32 37 0 0 1 0 999 V2000 9.8088 -5.3915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9824 -5.3988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2341 -6.0973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 -6.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3870 -7.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0456 -6.2632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1354 -7.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8912 -7.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5502 -6.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4561 -6.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7000 -5.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -6.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5783 -6.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4497 -7.4472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6899 -7.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7741 -6.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 -5.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3528 -6.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2722 -6.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9435 -7.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1545 -5.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2274 -8.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4435 -8.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6796 -5.6735 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.7201 -4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3843 -4.1235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0572 -4.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9233 -4.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8533 -4.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6341 -5.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3098 -7.2434 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.3883 -3.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 16 1 0 0 0 0 15 14 1 0 0 0 0 14 12 1 0 0 0 0 2 13 1 0 0 0 0 12 4 1 0 0 0 0 15 16 2 0 0 0 0 6 7 2 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 17 18 2 0 0 0 0 7 8 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 1 3 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 2 21 1 6 0 0 0 12 13 2 0 0 0 0 5 22 1 0 0 0 0 4 5 2 0 0 0 0 22 23 1 0 0 0 0 5 7 1 0 0 0 0 18 24 1 0 0 0 0 6 3 1 0 0 0 0 25 2 1 0 0 0 0 1 2 1 0 0 0 0 26 25 1 0 0 0 0 27 1 1 0 0 0 0 27 26 1 0 0 0 0 25 28 2 0 0 0 0 27 29 2 0 0 0 0 1 30 1 6 0 0 0 9 31 1 0 0 0 0 26 32 1 0 0 0 0 M END > CHEBI:84367 > cladoniamide B > 8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione which is substituted by chlorines at positions 2 and 10, hydroxy groups at positions 5a and 8a, a methoxy group at position 14, and a methyl group at position 7 (the 5aR,8aS diastereoisomer). It has been isolated from the culture broth of Streptomyces uncialis. > 3 > (5aR,8aS)-2,10-dichloro-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione > C22H15Cl2N3O5 > 472.27800 > 471.03888 > 0 > COc1c2-c3[nH]c4ccc(Cl)cc4c3[C@@]3(O)C(=O)N(C)C(=O)[C@@]3(O)n2c2ccc(Cl)cc12 > InChI=1S/C22H15Cl2N3O5/c1-26-19(28)21(30)15-11-7-9(23)3-5-13(11)25-16(15)17-18(32-2)12-8-10(24)4-6-14(12)27(17)22(21,31)20(26)29/h3-8,25,30-31H,1-2H3/t21-,22+/m1/s1 > BCFVHVKRKHBTGK-YADHBBJMSA-N > 19021255 > 18646774; 21876764 $$$$