Mol:FL7AAGGO0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-2.7245 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 -2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1141 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7245 -1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3349 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3349 -2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5036 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8932 -2.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8932 -1.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5036 -1.3626 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.3117 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8555 -0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 -0.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 -0.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2703 0.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3372 -0.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8343 -1.4267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7245 -3.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3219 -2.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2996 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6505 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7119 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2398 1.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 1.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9557 2.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4277 1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6982 2.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1783 2.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 1.2307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7732 0.6523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7306 1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3863 2.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7306 2.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4192 2.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 2.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4192 1.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3575 3.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6731 3.3678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2873 2.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8773 2.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 3.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1908 2.7316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8343 2.7316 0.0000 C 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
26 27 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 44 1 0 0 0 0
27 30 1 0 0 0 0
28 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 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 35 1 0 0 0 0
37 41 1 0 0 0 0
38 42 1 0 0 0 0
39 43 1 0 0 0 0
44 46 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
S SKP 8
ID FL7AAGGS0007
KNApSAcK_ID C00011073
NAME Delphinidin 3'-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)
CAS_RN -
FORMULA C30H27O17
EXACTMASS 659.124824438
AVERAGEMASS 659.5251800000001
SMILES O=C(c(c5)cc(c(c5O)O)O)OC(C4O)C(OC(COC(C)=O)C4O)Oc(c1)c(c(cc1c([o+1]3)c(cc(c23)c(O)cc(c2)O)O)O)O
M END
