6857403 -OEChem-03282418452D 49 49 0 1 0 0 0 0 0999 V2000 5.9081 0.8450 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 3.3100 -3.6550 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -4.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 -0.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1760 -2.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1760 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9081 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0420 -2.6550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9081 -2.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7741 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5062 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6401 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7741 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 2.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1635 2.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1771 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 1.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1076 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7751 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 19 3 1 1 0 0 0 20 4 1 1 0 0 0 21 5 1 1 0 0 0 5 36 1 0 0 0 0 22 6 1 6 0 0 0 6 37 1 0 0 0 0 23 7 1 6 0 0 0 7 38 1 0 0 0 0 24 8 1 1 0 0 0 8 39 1 0 0 0 0 9 25 1 0 0 0 0 10 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 15 28 1 0 0 0 0 15 48 1 0 0 0 0 16 28 2 0 0 0 0 17 29 1 0 0 0 0 17 49 1 0 0 0 0 18 29 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END > 6857403 > 1 > 690 > 16 > 9 > 10 > AAADceBwPgMAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACCAADRSggAIACAAAAxAIQACQCIAAAAAAAAAAAAEAAAABEBYAAAAAQAAFIAABAAHDYAQIAAAAAAAAAAACAAAQAACAAAAAAAAAAA== > (2R)-2-[[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxymethyl]butanedioic acid > (2R)-2-[[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxymethyl]butanedioic acid > (2R)-2-[[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxymethyl]butanedioic acid > (2R)-2-[[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxymethyl]butanedioic acid > (2R)-2-[[oxidanyl-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrakis(oxidanyl)-5-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxymethyl]butanedioic acid > (2R)-2-[[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexoxy]phosphoryl]oxymethyl]succinic acid > InChI=1S/C11H20O16P2/c12-4(13)1-3(11(18)19)2-25-29(23,24)27-10-7(16)5(14)6(15)9(8(10)17)26-28(20,21)22/h3,5-10,14-17H,1-2H2,(H,12,13)(H,18,19)(H,23,24)(H2,20,21,22)/t3-,5+,6+,7-,8-,9-,10+/m1/s1 > YKMGQFUXYYTRLF-SLJXNWFNSA-N > -6.3 > 470.02265854 > C11H20O16P2 > 470.21 > C(C(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)O)O)C(=O)O)C(=O)O > C([C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)C(=O)O)C(=O)O > 278 > 470.02265854 > 0 > 29 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 26 27 6 19 3 5 20 4 5 21 5 5 22 6 6 23 7 6 24 8 5 $$$$