Mol:LBG06ccg:R:R:g 2
35 33 0 0 0 0 0 0 0 0999 V2000 -3.2733 1.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 1.4620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2858 -0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -0.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 -0.1711 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 0.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -0.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 -1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7748 -0.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5317 -0.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5317 -1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5317 -2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -1.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4830 -2.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2399 -1.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2399 -2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9971 -1.5104 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 9.2399 -0.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2399 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9971 -2.7528 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -1.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 2.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9697 2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 1.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9346 2.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9971 2.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 0.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7265 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7265 2.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5515 1.2848 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 8 10 1 0 12 13 1 0 15 17 1 0 16 18 1 0 17 19 1 0 18 20 1 0 18 21 2 0 19 22 2 0 19 23 1 0 13 14 1 6 14 15 1 6 14 24 1 1 14 16 1 1 3 25 1 0 25 26 1 0 2 27 1 0 28 29 1 0 3 30 1 6 4 30 1 6 30 2 1 1 30 1 1 1 26 28 1 0 11 12 1 0 10 11 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0
A 10 6Glca1 A 11 2Glca1 A 26 6Gala1 A 27 1Gala A 28 6Gala1 A 29 Gala1 A 31 6 S SKP 5 ID LBG06ccg:R:R:ggggggggg:02 FORMULA EXACTMASS AVERAGEMASS SMILES M END
