Mrv1652309122217152D 36 38 0 0 0 0 999 V2000 1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5703 -4.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1006 -5.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6309 -4.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4434 -5.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9737 -4.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7861 -4.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3164 -3.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1289 -4.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4111 -4.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6592 -3.4076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4717 -3.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0651 -2.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 -2.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7935 -3.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6503 -4.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8333 -4.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4460 -5.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 5 1 4 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 4 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 14 1 4 0 0 0 16 17 2 0 0 0 0 18 17 1 4 0 0 0 18 19 2 0 0 0 0 20 19 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 4 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 25 30 1 0 0 0 0 30 31 2 0 0 0 0 14 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 12 35 1 0 0 0 0 35 36 2 0 0 0 0 M END > NP0330168 > NP-MRD > CCCCC(C)C=CC(O)=NC1=CC(O)(C=CC=CC=CC(O)=NC2=C(O)CCC2=O)C2OC2C1=O > InChI=1S/C27H32N2O7/c1-3-4-9-17(2)11-14-22(33)28-18-16-27(35,26-25(36-26)24(18)34)15-8-6-5-7-10-21(32)29-23-19(30)12-13-20(23)31/h5-8,10-11,14-17,25-26,30,35H,3-4,9,12-13H2,1-2H3,(H,28,33)(H,29,32) > LEERCZRUWSNMMK-UHFFFAOYSA-N > C27H32N2O7 > 496.56 > 496.220951378 > 9 > 68 > 54.772146993452225 > 1 > 4 > 0 > 0 > N-(5-hydroxy-5-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-4-methyloct-2-enimidic acid > 3.529830389666667 > 1 > 3 > 0 > 6.365400686133459 > 5.635973726033484 > 2.237871585742928 > 152.31 > 141.4938 > 11 > 1 > N-(5-hydroxy-5-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-4-methyloct-2-enimidic acid > 0 > NP0330168 > n-(5-hydroxy-5-{6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-c-hydroxycarbonimidoyl]hexa-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)-4-methyloct-2-enimidic acid $$$$