Mol:FL7AAGGO0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -2.2460 -2.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 -2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6355 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -1.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 -2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -2.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -2.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -1.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -1.3752 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.1669 -1.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 -1.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -1.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1669 -0.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7488 0.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 -0.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 -1.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -3.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -2.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -1.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1904 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7183 1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 2.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 2.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3558 2.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 2.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6568 2.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 1.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0392 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2947 0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 2.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 2.9153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 2.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 3.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 3.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8122 2.3190 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 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 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 15 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 1 20 1 0 0 0 0 8 21 1 0 0 0 0 13 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 17 24 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 23 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 36 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 40 44 1 0 0 0 0 S SKP 8 ID FL7AAGGS0006 KNApSAcK_ID C00011072 NAME Delphinidin 3'-O-(2''-O-galloyl-beta-galactopyranoside) CAS_RN 740786-46-3 FORMULA C28H25O16 EXACTMASS 617.114259752 AVERAGEMASS 617.4885 SMILES c(c3)(c([o+1]4)c(cc(c5O)c4cc(c5)O)O)cc(c(O)c3O)OC(O2)C(C(C(O)C2CO)O)OC(c(c1)cc(O)c(O)c(O)1)=O M END