Mol:FL7AACGO0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
60 65 0 0 0 0 0 0 0 0999 V2000
-0.6335 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6335 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 -1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2244 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2244 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 0.2799 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.0009 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7154 -0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4298 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4298 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7154 1.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0009 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0700 1.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8685 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 0.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 -2.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0748 -0.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6032 -1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3714 -0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2835 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6260 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8578 0.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9456 -0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3429 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0090 -1.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0394 -1.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8908 -0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9585 -1.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9415 0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4948 -0.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7075 -0.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9040 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3507 0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1380 0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3232 0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4008 -0.2982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9301 -0.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8478 -0.8860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8903 0.8757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8032 0.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0897 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0897 2.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3762 0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6627 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6627 2.1327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4076 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9949 -1.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1966 -0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4031 -1.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8157 -0.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6141 -0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7711 -0.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2509 0.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8908 -0.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4436 -0.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3681 -1.6294 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
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
32 28 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
43 39 1 0 0 0 0
19 36 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
43 48 1 0 0 0 0
50 51 1 1 0 0 0
51 52 1 1 0 0 0
53 52 1 1 0 0 0
53 54 1 0 0 0 0
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55 50 1 0 0 0 0
55 56 1 0 0 0 0
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50 58 1 0 0 0 0
51 59 1 0 0 0 0
52 60 1 0 0 0 0
53 41 1 0 0 0 0
25 17 1 0 0 0 0
S SKP 8
ID FL7AACGS0007
KNApSAcK_ID C00014775
NAME Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside
CAS_RN 651768-28-4
FORMULA C36H43O24
EXACTMASS 859.2144273040001
AVERAGEMASS 859.71222
SMILES O(c(c2)c(O)cc(c([o+1]6)c(O)cc(c65)c(O)cc(c5)OC(C(O)3)OC(C(C3OC(O4)C(C(C(O)C4CO)O)O)O)COC(CC(O)=O)=O)c2)C(C(O)1)OC(CO)C(C1O)O
M END
