Mol:FL7AAGGL0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
83 91 0 0 0 0 0 0 0 0999 V2000
-0.1369 4.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6104 4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6104 5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1369 5.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3576 4.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 4.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1050 5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3576 5.7990 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.8169 5.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2458 5.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2458 6.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 7.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8169 6.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8310 6.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6578 5.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1369 3.4651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9100 4.1358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8285 5.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 7.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0151 3.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0357 3.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9113 2.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4079 1.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3874 2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5119 2.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4564 2.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6353 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1217 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0378 0.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5716 3.9192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5895 -1.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5014 -2.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2643 -1.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2580 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3461 -0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5832 -0.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9404 -1.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 -2.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0266 -2.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5764 -2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6042 2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5999 3.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4374 4.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7897 4.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7941 4.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9566 3.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5851 4.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5790 2.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9954 2.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9386 3.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3941 2.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8537 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6353 2.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3823 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8286 0.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3823 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4899 -0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0437 0.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4899 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1657 -0.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0378 -3.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2656 -3.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6893 -2.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5867 -1.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3590 -1.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9354 -2.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1094 -1.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7880 -4.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4690 -3.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5844 -4.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2759 -4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0350 -4.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2773 -5.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9886 -5.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9886 -6.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2773 -7.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5659 -6.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5659 -5.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2773 -7.6686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3481 -4.1404 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
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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
15 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
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
20 24 1 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
23 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
32 38 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
46 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
49 53 1 0 0 0 0
53 54 1 0 0 0 0
18 47 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
64 65 1 1 0 0 0
65 66 1 1 0 0 0
67 66 1 1 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 64 1 0 0 0 0
63 67 1 0 0 0 0
66 70 1 0 0 0 0
64 71 1 0 0 0 0
69 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
74 76 1 0 0 0 0
76 77 2 0 0 0 0
77 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 76 1 0 0 0 0
79 82 1 0 0 0 0
65 83 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0031
FORMULA C53H59O30
EXACTMASS 1175.3091155480001
AVERAGEMASS 1176.01756
SMILES OC(C(O)1)C(C(Oc(c9)cc(c6c9O)[o+1]c(c(OC(C8O)OC(C(O)C8O)COC(C(O)7)OC(C)C(C(O)7)O)c6)c(c5)cc(c(O)c5O)O)OC1COC(=O)c(c2)ccc(OC(O3)C(O)C(O)C(O)C3COC(c(c4)ccc(O)c4)=O)c2)O
M END
