Mrv1533004171506512D 30 32 0 0 0 0 999 V2000 -4.2633 -0.4481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 -0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8422 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5074 0.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 -0.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 -1.3054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6674 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0396 1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 1.8646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 1.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5391 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 -1.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 0.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 1.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -0.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5156 -0.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 -0.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3662 -1.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2102 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 9 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 2 0 0 0 0 18 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 25 30 1 0 0 0 0 M END > NP0329670 > NP-MRD > CCC=CC(O)C(O)C1=C(C)C(=O)C2(O1)C(O)C(O)(NC2=O)C(=O)C1=CC=CC=C1 > InChI=1S/C21H23NO8/c1-3-4-10-13(23)14(24)15-11(2)16(25)20(30-15)18(27)21(29,22-19(20)28)17(26)12-8-6-5-7-9-12/h4-10,13-14,18,23-24,27,29H,3H2,1-2H3,(H,22,28) > BCXXBFMWUYYHIF-UHFFFAOYSA-N > C21H23NO8 > 417.414 > 417.142366705 > 8 > 53 > 40.31739669668592 > 1 > 5 > 0 > 1 > 8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione > 0.57 > 0.5910156169999999 > -2.95 > 1 > 3 > 0 > 10.084359842116154 > 9.62932431287609 > -3.3677760473323044 > 153.39000000000001 > 105.64869999999999 > 6 > 1 > 4.70e-01 g/l > 8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-8,9-dihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione > 0 > NP0329670 > 8-benzoyl-2-(1,2-dihydroxyhex-3-en-1-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one $$$$