Ketcher 10241814352D 1 1.00000 0.00000 0 42 47 0 1 0 999 V2000 10.7150 -8.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7150 -9.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5678 -10.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4711 -9.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4711 -8.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5678 -8.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3241 -10.4430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1771 -9.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1771 -8.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3241 -8.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0803 -10.4430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9332 -9.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9332 -8.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0803 -8.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5678 -11.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3241 -11.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7862 -8.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7862 -7.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9332 -6.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0803 -7.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2273 -6.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6392 -6.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2938 -11.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2789 -11.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6740 -10.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3245 -7.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7937 -12.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6324 -12.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6661 -11.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9521 -13.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9930 -12.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3261 -11.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8009 -9.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7041 -11.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8348 -11.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9688 -11.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9688 -12.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8382 -13.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7041 -12.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0892 -11.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1030 -13.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 -14.4271 0.0000 O 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 6 2 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 5 10 1 0 0 0 8 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 9 14 1 0 0 0 3 15 1 0 0 0 7 16 2 0 0 0 13 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 14 20 1 0 0 0 20 21 1 0 0 0 18 22 1 0 0 0 11 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 12 25 1 0 0 0 10 26 2 0 0 0 24 27 2 0 0 0 23 28 1 0 0 0 28 29 1 0 0 0 28 30 1 1 0 0 29 31 1 0 0 0 23 32 1 1 0 0 12 33 1 4 0 0 34 15 1 1 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 34 39 1 0 0 0 36 40 1 6 0 0 37 41 1 1 0 0 38 42 1 1 0 0 M END > CHEBI:31738 > jadomycin B > A jadomycin that is jadomycin A in which the phenolic hydroxy group at position 12 has been converted to the corresponding 2,6-dideoxy-α-L-ribo-hexopyranoside, isolated from Streptomyces venezuelae. It exists as a diastereoisomeric mixture consisting of both 3aS and 3aR isomers. > 3 > jadomycin B > (1S)-1-[(2S)-butan-2-yl]-7-hydroxy-5-methyl-2,8,13-trioxo-1,2,8,13-tetrahydro-3aH-benzo[b][1,3]oxazolo[3,2-f]phenanthridin-12-yl 2,6-dideoxy-alpha-L-ribo-hexopyranoside > C30H31NO9 > 549.570 > 549.19988 > 0 > C1=CC(=C2C(=C1)C(C3=C(C2=O)N4C(C5=C3C(=CC(=C5)C)O)(OC([C@@]4([C@H](CC)C)[H])=O)[H])=O)O[C@@H]6O[C@H]([C@@H]([C@@H](C6)O)O)C > InChI=1S/C30H31NO9/c1-5-13(3)24-30(37)40-29-16-9-12(2)10-17(32)21(16)23-25(31(24)29)28(36)22-15(27(23)35)7-6-8-19(22)39-20-11-18(33)26(34)14(4)38-20/h6-10,13-14,18,20,24,26,29,32-34H,5,11H2,1-4H3/t13-,14-,18+,20-,24-,26-,29?/m0/s1 > BSBSCJRAEMDCHC-LVOPHWFOSA-N > 149633-99-8 > 9745667 > 149633-99-8 > C12395 > C00016835 > CPD-12934 > 11932454; 15070349; 15776503; 16468745; 16568271; 18723485; 19075054; 21565515; 22714025; 23670961; 28904004; 7764672; 8514643 $$$$