Mol:FL7AACGL0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -4.4628 1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3502 1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 0.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 1.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7939 1.4317 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -1.6815 1.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 1.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 2.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6815 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0189 1.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 2.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9065 -0.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8215 -0.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 -0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4479 -0.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2003 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -0.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 0.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 -0.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 -0.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 3.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6017 -1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6017 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2688 -2.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1751 -1.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1906 -2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 -3.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -3.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4098 -2.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0189 -2.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 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 5 1 0 0 0 0 9 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 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 24 30 1 0 0 0 0 15 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 S SKP 8 ID FL7AACGL0030 KNApSAcK_ID C00006800 NAME Hyacinthin;Cyanidin 3-(6-O-p-coumarylglucoside) CAS_RN 56767-17-0 FORMULA C30H27O13 EXACTMASS 595.14516595 AVERAGEMASS 595.5275800000001 SMILES c(c12)c(O)cc(c1cc(OC(C(O)4)OC(COC(C=Cc(c5)ccc(O)c5)=O)C(C(O)4)O)c(c(c3)cc(O)c(c3)O)[o+1]2)O M END