Mol:FL7AAGGL0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
-1.6032 5.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6032 4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8888 4.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1743 4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1743 5.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8888 5.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5402 4.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2546 4.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2546 5.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5402 5.8156 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.0312 5.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7456 5.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4601 5.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4601 6.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7456 7.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 6.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1003 7.0461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1131 4.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1832 5.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8888 3.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7456 7.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1251 5.4675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7480 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5725 1.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7560 2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3240 3.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4994 3.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3158 2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9228 2.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6270 1.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3032 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5963 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0823 1.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3892 0.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8019 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0084 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2101 0.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 0.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2560 -0.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4832 -0.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0014 0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 0.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1654 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8789 0.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1654 -0.8452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -2.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1663 -2.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1663 -3.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -3.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7374 -3.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7374 -2.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -4.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0461 -7.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3314 -6.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5406 -5.9803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3137 -5.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0285 -5.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8194 -6.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3420 -6.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4342 -7.3735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9947 -7.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5066 -7.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9199 -5.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5191 4.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2940 3.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4687 3.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9800 4.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8053 4.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9570 4.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7036 4.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1251 4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8911 3.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1922 2.8930 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
15 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 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
37 40 1 0 0 0 0
36 41 1 0 0 0 0
34 42 1 0 0 0 0
38 33 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
43 35 1 0 0 0 0
55 56 1 1 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 55 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
55 63 1 0 0 0 0
56 64 1 0 0 0 0
57 65 1 0 0 0 0
58 54 1 0 0 0 0
66 67 1 1 0 0 0
67 68 1 1 0 0 0
69 68 1 1 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 66 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
66 74 1 0 0 0 0
67 75 1 0 0 0 0
68 76 1 0 0 0 0
69 20 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0048
FORMULA C48H57O28
EXACTMASS 1081.30363624
AVERAGEMASS 1081.94938
SMILES C(C(C(O)8)OC(C(O)C8O)Oc(c1)ccc(C=CC(=O)OC(C7O)C(C)OC(C7O)OCC(C6O)OC(C(O)C6O)Oc(c(c(c5)cc(c(O)c(O)5)O)4)cc(c3[o+1]4)c(cc(c3)O)OC(O2)C(C(O)C(C(CO)2)O)O)c1)O
M END
