71219191 -OEChem-05142417432D 73 74 0 1 0 0 0 0 0999 V2000 12.2799 1.2795 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7744 0.3089 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1107 -0.3297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.4230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.4230 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0770 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4279 2.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3938 2.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -1.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3622 1.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -2.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 2.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 2.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9895 1.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 2.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5543 3.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 2.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.9599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 0.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -1.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.9480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 2.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 2.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -2.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -2.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.2330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 1.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.6970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8451 1.0770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8410 1.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8638 0.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7266 1.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8606 1.4824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 11 3 1 6 0 0 0 3 57 1 0 0 0 0 4 14 1 0 0 0 0 4 60 1 0 0 0 0 5 13 2 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 7 23 2 0 0 0 0 8 31 1 0 0 0 0 8 33 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 12 37 1 0 0 0 0 14 21 1 0 0 0 0 14 38 1 0 0 0 0 15 20 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 23 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 24 27 2 0 0 0 0 24 61 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 6 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 31 32 2 0 0 0 0 32 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 M END > 71219191 > 1 > 754 > 8 > 2 > 3 > AAADcfB6OABgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQACAAADxyl1gKiiRIIFgisA6TyTACC8aBhCjgIiBUQIBgIFBagIQACUAAF4AAIoAeI7uSvAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (8S,13E,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methylsulfanylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione > (8S,13E,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-[2-(methylthio)-4-thiazolyl]prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione > (8S,13E,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methylsulfanyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione > (8S,13E,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methylsulfanyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione > (8S,13E,16S)-5,5,7,9-tetramethyl-16-[(E)-1-(2-methylsulfanyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8-bis(oxidanyl)-1-oxacyclohexadec-13-ene-2,6-dione > (8S,13E,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-[2-(methylthio)thiazol-4-yl]vinyl]-1-oxacyclohexadec-13-ene-2,6-quinone > InChI=1S/C26H39NO5S2/c1-16-11-9-7-8-10-12-20(17(2)13-19-15-34-25(27-19)33-6)32-22(29)14-21(28)26(4,5)24(31)18(3)23(16)30/h8,10,13,15-16,18,20-21,23,28,30H,7,9,11-12,14H2,1-6H3/b10-8+,17-13+/t16?,18?,20-,21?,23-/m0/s1 > UHENYLVONKTLBW-ZGXMFJHRSA-N > 5.5 > 509.22696569 > C26H39NO5S2 > 509.7 > CC1CCCC=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)SC)C > CC1CCC/C=C/C[C@H](OC(=O)CC(C(C(=O)C([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)SC)/C > 150 > 509.22696569 > 0 > 34 > 2 > 3 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 1 32 8 1 33 8 10 18 3 12 19 3 25 28 6 11 3 6 31 32 8 14 4 3 8 31 8 8 33 8 $$$$