ChEBI Marvin 03190716532D 35 39 0 0 0 0 999 V2000 19.6375 -10.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -10.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9230 -9.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9230 -11.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 -10.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 -10.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4941 -11.3078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3520 -9.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3520 -8.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0665 -10.0702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0665 -8.4202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7810 -9.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7810 -8.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2381 -7.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3940 -8.2809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2100 -8.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2100 -9.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4954 -10.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6389 -8.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6389 -9.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9244 -8.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9244 -10.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0585 -7.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4710 -6.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2960 -6.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9460 -6.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5335 -6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7085 -6.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7085 -7.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5335 -7.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6202 -6.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7952 -6.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7952 -7.7799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7952 -6.9549 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 18.9702 -6.9549 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 8 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 7 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 14 11 1 0 0 0 0 13 11 1 0 0 0 0 12 18 1 0 0 0 0 12 13 1 0 0 0 0 15 13 2 0 0 0 0 23 14 2 0 0 0 0 31 14 1 0 0 0 0 15 23 1 0 0 0 0 16 21 2 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 17 22 2 0 0 0 0 20 19 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 28 25 2 0 0 0 0 25 29 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 31 34 1 0 0 0 0 34 32 2 0 0 0 0 34 33 2 0 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:17706 > Renilla luciferyl sulfate > 3 > CHEBI:14533; CHEBI:25079; CHEBI:6558 > Luciferyl sulfate > 2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl hydrogen sulfate > C26H21N3O5S > 487.52816 > 487.12019 > 0 > Oc1ccc(cc1)-c1cn2c(OS(O)(=O)=O)c(Cc3ccccc3)nc2c(Cc2ccccc2)n1 > InChI=1S/C26H21N3O5S/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)34-35(31,32)33)16-19-9-5-2-6-10-19/h1-14,17,30H,15-16H2,(H,31,32,33) > FWTNBXHOBWPZGV-UHFFFAOYSA-N > C02555 $$$$