Mol:FL7AEGGL0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 43 0 0 0 0 0 0 0 0999 V2000
-2.5273 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5273 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0984 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 1.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3306 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3839 1.4549 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1071 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5360 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5360 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 2.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 2.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1762 2.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1891 -0.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1073 1.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8128 -0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2010 1.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5637 -2.8650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3624 -2.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3733 -1.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8033 -1.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0044 -1.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9934 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 -2.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -3.4595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9933 -3.0211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9445 -2.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0073 -2.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2992 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3098 -1.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5804 -2.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8723 -2.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8829 -1.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 -2.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2010 -0.1716 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
15 21 1 0 0 0 0
13 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
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 29 1 0 0 0 0
2 40 1 0 0 0 0
S SKP 8
ID FL7AEGGL0002
KNApSAcK_ID C00014823
NAME 6-Hydroxydelphinidin 3-(6-malonylglucoside)
CAS_RN 478693-92-4
FORMULA C24H23O16
EXACTMASS 567.098609688
AVERAGEMASS 567.42982
SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c2c(c3)cc(c(c(O)3)O)O)cc(c1[o+1]2)c(c(O)c(c1)O)O
M END
