Mol:PR100468
From Metabolomics.JP
ACD/Labs08070914132D 24 27 0 0 0 0 0 0 0 0 2 V2000 17.8346 -8.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6644 -7.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6644 -6.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8346 -6.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0049 -6.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0049 -7.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4941 -8.1880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3238 -7.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3238 -6.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4941 -6.2718 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 21.1536 -8.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9833 -7.7090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9833 -6.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1536 -6.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1751 -8.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1751 -6.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4941 -5.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8131 -6.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8131 -8.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3238 -4.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3238 -3.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4941 -3.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6644 -3.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6644 -4.8346 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 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 6 15 1 0 0 0 0 5 16 1 0 0 0 0 10 17 1 0 0 0 0 13 18 1 0 0 0 0 12 19 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 17 1 0 0 0 0 M CHG 1 10 1 S SKP 7 CAS_RN 7006-08-8 NAME Safranine ID PR100468 FORMULA C20H19N4 EXACTMASS 315.160971628 AVERAGEMASS 315.39182000000005 SMILES c(c4)ccc(c4)[n+1](c21)c(c3)c(cc(C)c(N)3)nc(cc(C)c(N)c2)1 M END