Mol:LBGPIc-p:R::p 2
33 33 0 0 0 0 0 0 0 0999 V2000 -2.1224 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 -2.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 -2.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 -1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 -0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -2.1679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9778 -0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 -2.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 0.3922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 -2.1679 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.2829 -2.1679 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4579 -1.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4579 -2.9927 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9773 -0.4182 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 0.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 -1.2432 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9187 -0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 -0.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 0.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5686 0.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 0.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.2659 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.9483 -1.2659 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6071 -0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6071 -1.8291 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.1410 -1.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 1.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5685 1.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5685 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 2.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 2.9927 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 1 3 4 1 1 5 4 1 1 5 6 1 0 1 6 1 0 2 7 1 0 5 8 1 0 4 9 1 0 6 10 1 0 1 11 1 0 12 13 1 0 12 14 2 0 12 15 1 0 8 16 1 0 16 17 2 0 16 18 1 0 7 12 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 21 23 1 1 24 25 1 0 24 26 2 0 24 27 1 0 24 28 1 0 3 28 1 0 21 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0
M CHG 5 13 -1 15 -1 18 -1 25 -1 27 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 5 29 30 31 32 33 M SBL 1 1 29 M SMT 1 CH2OCOR M SBV 1 29 0.0000 -1.1450 S SKP 5 ID LBGPIc-p:R::ppppppppp:02 FORMULA C10H15O18P3R EXACTMASS 546.608223206 AVERAGEMASS 546.797683 SMILES [H]C(O)(COP([O-1])(=O)OC(C(O)1)C(O)C(OP([O-1])([O-1])=O)C(OP([O-1])([O-1])=O)C(O)1)COC(=O)[R] M END
