16219560 -OEChem-03282418582D 46 46 0 1 0 0 0 0 0999 V2000 4.2690 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 16 2 1 1 0 0 0 18 2 1 6 0 0 0 14 3 1 6 0 0 0 3 36 1 0 0 0 0 13 4 1 1 0 0 0 4 37 1 0 0 0 0 15 5 1 1 0 0 0 5 38 1 0 0 0 0 19 6 1 1 0 0 0 6 41 1 0 0 0 0 7 20 1 0 0 0 0 7 42 1 0 0 0 0 8 21 1 0 0 0 0 8 43 1 0 0 0 0 22 9 1 1 0 0 0 9 44 1 0 0 0 0 10 23 1 0 0 0 0 10 45 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 1 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END > 16219560 > 1 > 406 > 12 > 9 > 8 > AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAACQCAIAAAAAAAAAAAFAAAAREBYAAAAiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid > (2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanoic acid > (2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid > (2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid > (2R,3R,4R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoic acid > (2R,3R,4R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hexanoic acid > InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3?,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1 > JYTUSYBCFIZPBE-QLRGDERGSA-N > -5 > 358.11112613 > C12H22O12 > 358.30 > C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O > C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]([C@@H]([C@H](C(=O)O)O)O)C(CO)O)O)O)O)O > 218 > 358.11112613 > 0 > 24 > 8 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 21 5 16 2 5 18 2 6 14 3 6 13 4 5 15 5 5 19 6 5 20 7 3 22 9 5 $$$$