Mol:FL7AACGL0039
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.4950 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4950 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7199 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9449 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9449 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7199 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 0.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3947 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3947 1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1698 2.1500 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.3800 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 1.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9600 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9600 3.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3800 3.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2697 2.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7496 3.5178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7199 -0.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 0.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3528 -2.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0001 -3.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2750 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7516 -3.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1042 -3.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8294 -3.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9804 -2.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -0.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3167 -0.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 -1.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3167 -1.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7587 -1.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 0.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 -1.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9461 -2.9071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5686 -2.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0120 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4065 -2.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1572 -3.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0229 -4.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1700 4.4299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4384 0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4384 1.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1274 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1274 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8418 -1.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 -0.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5564 0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8418 0.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2697 0.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2697 -1.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8418 -2.0380 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 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 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 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
15 42 1 0 0 0 0
34 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 45 1 0 0 0 0
49 51 1 0 0 0 0
48 52 1 0 0 0 0
47 53 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0039
FORMULA C34H35O19
EXACTMASS 747.1772539379999
AVERAGEMASS 747.6303
SMILES O(C(COC(C(O)6)OC(C(O)C6O)C)2)C(Oc(c(c(c5)ccc(c5O)O)3)cc(c4O)c(cc(c4)O)[o+1]3)C(C(O)C(O)2)OC(c(c1)cc(O)c(O)c1O)=O
M END
