Mol:FL7AAGGA0010
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -1.9823 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 1.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -0.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 1.1781 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.4565 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5935 1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 1.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 2.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9823 -0.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -0.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 -1.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4436 -0.9513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -0.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -0.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7327 -1.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1443 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5724 -2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -2.6446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9129 -2.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -1.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5569 -1.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 -1.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -2.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -1.6196 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 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 14 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 8 20 1 0 0 0 0 13 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 20 23 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 15 33 1 0 0 0 0 32 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 42 1 0 0 0 0 42 43 2 0 0 0 0 43 38 1 0 0 0 0 41 44 1 0 0 0 0 S SKP 8 ID FL7AAGGA0010 KNApSAcK_ID C00011107 NAME Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside CAS_RN 339080-03-4 FORMULA C30H27O14 EXACTMASS 611.140080572 AVERAGEMASS 611.5269800000001 SMILES c(c1)(c(c(cc1c([o+1]5)c(cc(c45)c(cc(c4)O)O)OC(C(O)3)OC(C(C3O)O)COC(C=Cc(c2)ccc(O)c2)=O)O)O)O M END
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