Mol:FL7AAGGO0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.9630 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.8777 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.8183 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -0.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 -2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9344 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1043 -0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 -1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3952 -1.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7064 -2.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9751 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -1.7427 0.0000 C 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 15 21 1 0 0 0 0 13 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 20 1 0 0 0 0 S SKP 8 ID FL7AAGGS0002 KNApSAcK_ID C00006699 NAME Delphinidin 3-rhamnoside CAS_RN 29907-19-5 FORMULA C21H21O11 EXACTMASS 449.108386514 AVERAGEMASS 449.38484 SMILES c(c(O)4)c(O)c(c(c4)2)cc(c(c(c3)cc(O)c(O)c(O)3)[o+1]2)OC(O1)C(O)C(O)C(O)C(C)1 M END
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