Mol:FL7AAGGL0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
88 96 0 0 0 0 0 0 0 0999 V2000
-1.3556 5.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 4.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0733 5.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 5.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7878 4.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5022 5.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7878 5.7254 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.2788 5.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 5.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 5.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7077 6.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 6.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 6.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3479 6.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2796 4.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9356 5.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 3.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 7.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3727 5.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0509 1.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7472 2.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5038 2.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6962 3.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9999 3.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2432 2.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8104 2.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2984 0.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7360 1.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0900 3.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5964 1.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1663 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2464 0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5471 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3454 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7582 0.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9646 0.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3614 -0.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1341 -0.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 0.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6836 -0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3971 0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6836 -0.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 -2.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6845 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6845 -3.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9701 -3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2556 -3.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2556 -2.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9687 -4.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 -7.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8084 -6.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0176 -5.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7907 -5.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5055 -5.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2964 -6.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7942 -6.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2156 -7.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4922 -7.7300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 -7.4272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 -5.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9401 -6.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7036 -7.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9412 -5.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6553 -5.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6565 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9426 -4.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9437 -3.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6588 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3727 -3.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3715 -4.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6599 -2.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2308 -2.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4191 3.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9962 3.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2009 3.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 3.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8271 3.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6224 3.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9923 4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6410 4.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0520 3.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6377 3.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6693 2.6679 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 2 0 0 0 0
66 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
75 70 1 0 0 0 0
73 76 1 0 0 0 0
72 77 1 0 0 0 0
62 66 1 0 0 0 0
78 79 1 1 0 0 0
79 80 1 1 0 0 0
81 80 1 1 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 78 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
78 86 1 0 0 0 0
79 87 1 0 0 0 0
80 88 1 0 0 0 0
81 20 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0047
FORMULA C57H63O31
EXACTMASS 1243.335330298
AVERAGEMASS 1244.09152
SMILES OC(C5O)C(C(OC(COC(C9O)OC(C(C9O)OC(=O)C=Cc(c6)ccc(OC(C8O)OC(C(O)C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)c6)C)5)Oc(c2c(c4)cc(c(c4O)O)O)cc(c1OC(C(O)3)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O)O
M END
