Mrv1533006081517272D 31 35 0 0 0 0 999 V2000 5.7337 -12.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 -13.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4482 -13.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1627 -13.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1627 -12.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4482 -12.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8882 -12.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 -13.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5984 -12.5722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3128 -12.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3128 -11.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6026 -10.9247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8881 -11.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9221 -10.7859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5886 -10.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 -10.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -12.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 -12.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4769 -12.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1914 -12.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1916 -11.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4661 -10.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7516 -11.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 -9.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0019 -9.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8075 -9.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2206 -10.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 -10.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4581 -9.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0451 -8.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2201 -8.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 7 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 16 24 2 0 0 0 0 15 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 26 31 1 0 0 0 0 M END > M2MDB005511 > M2MDB > OC1=CC=C(C=C1)C1=CN2C(=O)C(CC3=CC=CC=C3)=NC2=C(CC2=CC=CC=C2)N1 > InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,27,30H,15-16H2 > KAEGGIFPLJZUOZ-UHFFFAOYSA-N > C26H21N3O2 > 407.473 > 407.163376928 > 4 > 52 > 44.42386021657626 > 1 > 2 > 0 > 0 > 2,8-dibenzyl-6-(4-hydroxyphenyl)-3H,7H-imidazo[1,2-a]pyrazin-3-one > 4.29 > 4.702393315 > -4.65 > 0 > 5 > 0 > 11.59199519626346 > 9.45369138846566 > -0.13379816672487654 > 64.93 > 131.9109 > 5 > 1 > 9.13e-03 g/l > renilla luciferin > 0 > ECMDB23869 > alpha-D-Aldose 1-phosphate $$$$