Mrv1533004251502522D 40 41 0 0 0 0 999 V2000 2.1434 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 2.0625 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3789 7.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 6.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 10 17 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 4 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 4 38 1 0 0 0 0 38 39 2 0 0 0 0 30 40 1 0 0 0 0 M END > NP0327929 > NP-MRD > CC(O)C1NC(=O)C(CC2=CC=C(O)C(I)=C2)N(C)C(=O)C(C)NC(=O)C(C)CC(C)=CC(C)CC(C)OC1=O > InChI=1S/C29H42IN3O7/c1-15-10-16(2)12-18(4)40-29(39)25(20(6)34)32-27(37)23(14-21-8-9-24(35)22(30)13-21)33(7)28(38)19(5)31-26(36)17(3)11-15/h8-10,13,16-20,23,25,34-35H,11-12,14H2,1-7H3,(H,31,36)(H,32,37) > FTQSOFUKNCQBTQ-UHFFFAOYSA-N > C29H42IN3O7 > 671.573 > 671.20675 > 6 > 82 > 63.79992859277739 > 1 > 4 > 0 > 0 > 6-[(4-hydroxy-3-iodophenyl)methyl]-3-(1-hydroxyethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone > 3.08 > 3.3213356360000006 > -4.52 > 0 > 2 > 0 > 10.694477218392443 > 8.369972830285908 > -1.0424381998880174 > 145.26999999999998 > 160.36640000000006 > 3 > 0 > 2.02e-02 g/l > 6-[(4-hydroxy-3-iodophenyl)methyl]-3-(1-hydroxyethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone > 0 > NP0327929 > 5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3-(1-hydroxyethyl)-7,9,12,14,16,18-hexamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione $$$$