Mol:FL7AAAGL0044
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
-3.9493 0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9493 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2348 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5203 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5203 0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2348 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 -0.5288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0912 -0.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0912 0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 1.1214 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.3769 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3512 0.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3512 2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3769 1.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6636 1.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8076 2.3824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2334 -1.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3233 -0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7252 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0226 -3.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0131 -2.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3603 -1.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4598 -2.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3875 -2.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7133 -3.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7957 -2.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6405 -1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1984 -1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5620 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9479 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3941 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0443 -1.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0836 -1.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7793 -1.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0309 -1.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5453 -0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9962 -1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6458 -0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2725 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2489 -0.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3358 -1.0650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3080 -1.1967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7540 0.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3670 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1166 0.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3670 1.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 1.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 3.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8151 3.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8151 4.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 4.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3561 4.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3561 3.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0855 5.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6928 -0.6213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4263 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2833 -2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8968 -3.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1595 -2.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5975 -3.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4717 -3.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8491 -4.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6038 -4.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9813 -3.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6038 -2.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8491 -2.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7354 -3.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1685 -4.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9564 -5.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8740 -5.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5431 4.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4608 4.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1899 -2.1950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1076 -2.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5005 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4608 -0.4706 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
23 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 19 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
39 44 1 0 0 0 0
40 45 1 0 0 0 0
20 38 1 0 0 0 0
24 44 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 51 1 0 0 0 0
54 57 1 0 0 0 0
41 58 1 0 0 0 0
42 59 1 0 0 0 0
59 46 1 0 0 0 0
28 60 1 0 0 0 0
60 61 2 0 0 0 0
60 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
67 68 1 0 0 0 0
68 69 2 0 0 0 0
69 64 1 0 0 0 0
67 70 1 0 0 0 0
22 71 1 0 0 0 0
72 73 1 0 0 0 0
66 72 1 0 0 0 0
74 75 1 0 0 0 0
53 74 1 0 0 0 0
76 77 1 0 0 0 0
68 76 1 0 0 0 0
78 79 1 0 0 0 0
34 78 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 72 73
M SBL 1 1 80
M SMT 1 OCH3
M SBV 1 80 -0.3526 0.7281
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 74 75
M SBL 2 1 82
M SMT 2 OCH3
M SBV 2 82 -0.7280 -0.4203
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 76 77
M SBL 3 1 84
M SMT 3 OCH3
M SBV 3 84 -0.5861 -0.7799
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 78 79
M SBL 4 1 86
M SMT 4 ^ CH2OH
M SBV 4 86 0.4562 -0.4303
S SKP 5
ID FL7AAAGL0044
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES O(C(C(OC(C(OC(C=Cc(c8)cc(OC)c(O)c(OC)8)=O)7)OCC(C7O)O)5)OC(COC(C=Cc(c6)cc(OC)c(c6)O)=O)C(C(O)5)O)c(c2c(c4)ccc(O)c4)cc(c1OC(C3O)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O
M END
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