Mol:FL7AACGL0109
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 76 83 0 0 0 0 0 0 0 0999 V2000 -1.4496 2.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 2.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 3.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 1.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 3.2418 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 2.1848 3.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 2.8651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 3.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6137 4.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 4.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2539 4.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 1.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 3.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7352 0.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 2.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -1.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 -1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4505 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1157 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 -0.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9744 -0.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4151 -0.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 -1.9299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 -1.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0659 -1.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3596 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8717 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1008 0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 0.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5461 0.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7874 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 0.2821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 -0.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 1.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 -3.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 -2.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5777 -1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8146 -2.2121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -3.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 -4.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0328 -3.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -2.9091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8627 -0.6754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -3.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 -3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5958 -2.3736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3599 -3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -3.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -3.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 -3.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5259 -3.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1134 -4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -4.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 -3.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -2.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5641 -1.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0374 -1.2547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4499 -1.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0374 -2.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -2.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2738 -1.9691 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 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0 0 0 0 73 76 1 0 0 0 0 53 66 1 0 0 0 0 S SKP 8 ID FL7AACGL0109 KNApSAcK_ID C00014766 NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside CAS_RN 203396-74-1 FORMULA C51H53O25 EXACTMASS 1065.287592246 AVERAGEMASS 1065.95152 SMILES c(c([o+1]8)c(cc(c78)c(cc(O)c7)OC(C6O)OC(C(C6O)O)CO)OC(C(OC(C(O)4)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(C4O)O)3)OC(C(O)C3O)COC(C=Cc(c2)ccc(c2)O)=O)(c1)cc(c(O)c1)O M END