Mol:FL7AACGL0103
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
2.9252 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6687 2.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9252 3.1074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1815 2.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1815 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2537 3.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2628 1.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7417 1.8132 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.0272 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0272 0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7417 0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4561 0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 1.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4017 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4017 0.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 0.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0333 1.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0391 0.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 -0.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9774 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3681 1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5848 1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6983 1.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3075 2.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0909 1.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6161 2.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3029 1.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5944 1.4280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1452 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8731 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 -2.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6104 -2.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6583 -1.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1512 -0.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2838 -0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2357 -1.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8126 -3.1074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3642 -2.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6720 -1.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0561 -1.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5758 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5758 -2.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1419 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 -1.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6466 -2.6154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2678 -1.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3022 -0.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6156 -0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8944 -1.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7723 -1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4615 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1829 -1.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3049 -1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5944 -2.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1278 -1.1412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9494 -0.6665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
2 8 1 0 0 0 0
6 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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 9 1 0 0 0 0
11 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
16 19 1 0 0 0 0
14 20 1 0 0 0 0
18 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
19 25 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 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
20 36 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
38 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
35 49 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 1 0 0 0
53 52 1 1 0 0 0
54 53 1 1 0 0 0
54 55 1 0 0 0 0
55 50 1 0 0 0 0
49 51 1 0 0 0 0
54 56 1 0 0 0 0
55 57 1 0 0 0 0
50 58 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0103
FORMULA C35H41O23
EXACTMASS 829.203862618
AVERAGEMASS 829.68624
SMILES C(O)(C(O)1)C(C(OC1Oc(c2)cc(O)c(c3)c2[o+1]c(c(c6)ccc(c(O)6)O)c3OC(C(OC(O5)C(O)C(C(C5)O)O)4)OC(C(O)C(O)4)COC(CC(O)=O)=O)CO)O
M END
