71231478 -OEChem-03292410112D 78 79 0 1 0 0 0 0 0999 V2000 6.8301 3.8649 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 2.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -3.1739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -3.6739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.1739 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0372 -4.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 -4.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 2.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2423 4.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -1.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -4.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -4.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -4.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.1489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5988 -4.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 -4.8194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4756 -3.9426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4724 -4.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9108 -5.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6702 -4.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.5913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 1.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 0.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7288 2.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 5.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 5.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 4.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 10 2 1 6 0 0 0 2 68 1 0 0 0 0 18 3 1 6 0 0 0 3 69 1 0 0 0 0 4 26 1 0 0 0 0 4 28 1 0 0 0 0 5 16 2 0 0 0 0 6 19 1 0 0 0 0 6 70 1 0 0 0 0 7 28 2 0 0 0 0 8 32 1 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 1 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 6 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 27 1 6 0 0 0 15 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 25 1 0 0 0 0 18 46 1 0 0 0 0 19 22 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 29 1 1 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 74 1 0 0 0 0 32 33 2 0 0 0 0 33 75 1 0 0 0 0 34 35 1 0 0 0 0 35 76 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 M END > 71231478 > 1 > 756 > 8 > 3 > 2 > AAADcfB6OABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQACAAADxyl1gKiiRIIFgisA6TyTACC8KBhCjgAiBUQIBgIFBagIQACUAAFoACooAeI7uSvAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (4S,7R,8S,9S,13S,16S)-4,8,14-trihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-oxacyclohexadecane-2,6-dione > (4S,7R,8S,9S,13S,16S)-4,8,14-trihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-4-thiazolyl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-dione > (4S,7R,8S,9S,13S,16S)-4,8,14-trihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-dione > (4S,7R,8S,9S,13S,16S)-4,8,14-trihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-oxacyclohexadecane-2,6-dione > (4S,7R,8S,9S,13S,16S)-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,8,14-tris(oxidanyl)-1-oxacyclohexadecane-2,6-dione > (4S,7R,8S,9S,13S,16S)-4,8,14-trihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-oxacyclohexadecane-2,6-quinone > InChI=1S/C27H43NO6S/c1-15-9-8-10-16(2)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(12-21(15)29)17(3)11-20-14-35-19(5)28-20/h11,14-16,18,21-23,25,29-30,32H,8-10,12-13H2,1-7H3/b17-11+/t15-,16-,18+,21?,22-,23-,25-/m0/s1 > KXMLFKBLQSWEFM-KNBMEYGJSA-N > 4.6 > 509.28110926 > C27H43NO6S > 509.7 > CC1CCCC(C(C(C(=O)C(C(CC(=O)OC(CC1O)C(=CC2=CSC(=N2)C)C)O)(C)C)C)O)C > C[C@H]1CCC[C@@H](C(C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)O)C > 145 > 509.28110926 > 0 > 35 > 6 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 33 8 1 34 8 11 21 6 15 27 6 10 2 6 26 29 5 18 3 6 32 33 8 19 6 3 8 32 8 8 34 8 9 20 5 $$$$