Mol:FL7AAGGL0038
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.0276 0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0372 1.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3632 0.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3804 0.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4014 1.4642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3275 1.8846 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1159 1.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4493 1.4767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4533 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7461 0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8296 1.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5473 1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8342 3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1197 2.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7461 -0.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1638 1.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1488 1.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1638 3.0477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8342 3.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0386 0.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 -1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5115 -1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7342 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3306 -0.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5056 -0.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2828 -1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2286 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7019 -1.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3135 -2.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1138 -2.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0866 -1.6942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6781 -3.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8795 -3.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 -2.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7509 -2.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5495 -1.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9603 -2.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5394 -2.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1273 -2.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8586 -3.7745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 -3.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2776 -3.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
7 5 1 0 0 0 0
2 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 1 1 0 0 0 0
7 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 7 1 0 0 0 0
11 17 1 0 0 0 0
9 18 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
4 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
26 22 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 30 1 0 0 0 0
S SKP 8
ID FL7AAGGL0038
KNApSAcK_ID C00013564
NAME Delphinidin 3-gentiobioside
CAS_RN 55169-25-0
FORMULA C27H31O17
EXACTMASS 627.156124566
AVERAGEMASS 627.52484
SMILES C(Oc(c4)c([o+1]c(c5)c(c(cc5O)O)4)c(c3)cc(O)c(c(O)3)O)(O1)C(O)C(O)C(O)C(COC(C2O)OC(C(C(O)2)O)CO)1
M END
