71310301 CDK 0520212310 23 24 0 0 0 0 0 0 0 0999 V2000 5.2530 0.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9509 -0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2929 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8943 1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 -2.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 -0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0085 -1.9992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5788 2.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 1.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6655 -0.3852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4724 -0.2137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5586 0.6068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8050 0.9423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 -0.3852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2365 -1.2102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5220 -1.6227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8075 -1.2102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8075 -0.3852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8370 -1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1918 1.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 12 2 1 6 0 0 0 16 2 1 6 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 13 4 1 6 0 0 0 14 5 1 1 0 0 0 17 6 1 6 0 0 0 18 7 1 1 0 0 0 19 8 1 6 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 1 0 0 0 M ISO 1 12 13 M ISO 1 13 13 M ISO 1 14 13 M ISO 1 15 13 M ISO 1 16 13 M ISO 1 17 13 M ISO 1 18 13 M ISO 1 19 13 M ISO 1 20 13 M ISO 1 21 13 M ISO 1 22 13 M ISO 1 23 13 M END > CHEBI:172954 > Sucrose_13C12 > 2 > (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]oxy-6-(hydroxy(113C)methyl)(2,3,4,5,6-13C5)oxane-3,4,5-triol > [13C]12H22O11 > 354.205 > 354.15647 > 0 > O1[13C@@](O[13C@H]2O[13C@@H]([13C@@H](O)[13C@H](O)[13C@H]2O)[13CH2]O)([13C@@H](O)[13C@H](O)[13C@H]1[13CH2]O)[13CH2]O > InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1 > CZMRCDWAGMRECN-UHSKIMHLSA-N $$$$