Mol:FL63ACNC0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.4428 1.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9936 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 1.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5438 1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4428 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8914 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7796 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 0.0996 0.0000 O 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 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 8 10 1 6 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 2 16 1 0 0 0 0 3 17 2 0 0 0 0 17 4 1 0 0 0 0 13 18 1 0 0 0 0 6 19 1 1 0 0 0 17 20 1 0 0 0 0 14 21 1 0 0 0 0 19 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 19 1 0 0 0 0 22 27 1 0 0 0 0 26 28 1 0 0 0 0 24 29 1 0 0 0 0 7 30 1 6 0 0 0 S SKP 8 ID FL63ACNC0005 KNApSAcK_ID C00009321 NAME Prodelphinidin B6 CAS_RN 61541-02-4 FORMULA C21H18O9 EXACTMASS 414.095082174 AVERAGEMASS 414.36222 SMILES c(C(c43)C(O)C(Oc3cc(O)cc4O)c(c2)cc(c(O)c2)O)(c1O)c(cc(c1)O)O M END