ChEBI Marvin 03190714032D 40 44 0 0 0 0 999 V2000 17.2472 -18.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2472 -19.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5327 -18.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5327 -19.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8182 -18.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8182 -19.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9617 -18.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9617 -17.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6762 -18.4655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6762 -16.8155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3907 -18.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3907 -17.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8478 -16.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0037 -16.6762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8197 -17.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8197 -18.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1051 -18.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2486 -17.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2486 -18.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5341 -16.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5341 -18.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2299 -15.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6682 -15.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0807 -15.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9057 -15.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1432 -14.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3182 -14.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3182 -15.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1432 -15.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5557 -15.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3807 -15.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1038 -19.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5076 -14.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0787 -14.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7932 -14.4935 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 24.2057 -13.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9288 -20.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1038 -21.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1038 -20.5281 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 14.2788 -20.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 1 7 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 6 5 1 0 0 0 0 6 32 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 13 10 1 0 0 0 0 12 10 1 0 0 0 0 11 17 1 0 0 0 0 11 12 2 0 0 0 0 14 12 1 0 0 0 0 23 13 1 0 0 0 0 22 13 2 0 0 0 0 14 23 2 0 0 0 0 15 20 2 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 16 21 2 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 27 25 2 0 0 0 0 25 28 1 0 0 0 0 30 26 2 0 0 0 0 30 29 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 30 31 1 0 0 0 0 31 35 1 0 0 0 0 32 39 1 0 0 0 0 35 33 2 0 0 0 0 35 34 2 0 0 0 0 35 36 1 0 0 0 0 39 37 2 0 0 0 0 39 38 1 0 0 0 0 39 40 2 0 0 0 0 M END > CHEBI:17675 > Watasenia luciferin > 3 > CHEBI:22138; CHEBI:10035; CHEBI:12775 > Watasenia luciferin; watasemiluciferin; 8-(phenylmethyl)-6-(4-sulfooxyphenyl)-2-[(4-sulfooxyphenyl)methyl]imidazo[1,2-a]-pyrazin-3(7H)-one > 4-{8-benzyl-3-oxo-2-[4-(sulfooxy)benzyl]-3,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl hydrogen sulfate > C26H21N3O9S2 > 583.59176 > 583.07192 > 0 > OS(=O)(=O)Oc1ccc(Cc2nc3c(Cc4ccccc4)[nH]c(cn3c2=O)-c2ccc(OS(O)(=O)=O)cc2)cc1 > InChI=1S/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35,36) > PTGHKNQEZNRQKY-UHFFFAOYSA-N > C02894 $$$$