Mol:FL7AAGGA0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-3.6061 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6061 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8916 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8916 1.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 1.3309 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.0283 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4573 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4573 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0283 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0975 2.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1103 -0.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1860 1.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8916 -1.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1022 0.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 3.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1041 -2.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 -2.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0645 -1.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5136 -1.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1426 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 -2.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5784 -2.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.5697 -1.9061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2527 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6779 -1.6523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5462 -2.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0436 -1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0436 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7581 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4725 -2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4725 -1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7581 -0.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7581 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1860 -0.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1860 -2.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 -2.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3301 -3.3354 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 0 0
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 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 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
30 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
42 43 1 0 0 0 0
41 44 1 0 0 0 0
40 45 1 0 0 0 0
38 46 1 0 0 0 0
46 47 2 0 0 0 0
33 46 1 0 0 0 0
26 18 1 0 0 0 0
S SKP 8
ID FL7AAGGA0014
KNApSAcK_ID C00014788
NAME Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)
CAS_RN 197250-30-9
FORMULA C30H27O17
EXACTMASS 659.124824438
AVERAGEMASS 659.5251800000001
SMILES c(c5O)c(cc(c5O)O)c(c2OC(C3OC(=O)c(c4)cc(c(c4O)O)O)OC(COC(C)=O)C(C3O)O)[o+1]c(c1)c(c2)c(O)cc1O
M END
