Mol:FL7AAIGL0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
68 73 0 0 0 0 0 0 0 0999 V2000
-0.1496 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5650 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5650 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1496 2.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8641 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8641 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9940 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9940 2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 2.4863 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.6747 2.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3577 2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0408 2.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0408 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3577 3.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 3.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7502 3.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4487 2.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1496 0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8112 0.7587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 4.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9365 4.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7850 2.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4534 2.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7643 -1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9030 -1.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2542 -0.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3315 -0.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1928 -0.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8416 -0.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4894 -0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1235 -0.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2888 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6997 -1.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3701 -1.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9758 0.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0539 0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9165 -0.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4373 -0.9911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3592 -0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4967 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4155 0.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3326 -0.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6627 -1.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1800 -1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1594 -2.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7344 -3.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5540 -4.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3433 -3.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3059 -3.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4866 -2.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6972 -3.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5773 -4.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1414 -4.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1267 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7892 -4.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1501 -3.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4746 -4.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7281 -3.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1678 -4.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7429 -2.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1487 -2.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7294 -0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7294 0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3714 -0.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0164 -0.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0164 0.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6627 -0.9387 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
15 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
25 26 1 1 0 0 0
26 27 1 1 0 0 0
28 27 1 1 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 25 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
19 28 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
39 38 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
20 37 1 0 0 0 0
36 42 1 0 0 0 0
41 43 1 0 0 0 0
40 44 1 0 0 0 0
39 45 1 0 0 0 0
45 46 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
46 51 1 0 0 0 0
50 53 1 0 0 0 0
49 54 1 0 0 0 0
47 55 1 0 0 0 0
48 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 2 0 0 0 0
57 62 2 0 0 0 0
32 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0029
FORMULA C41H49O27
EXACTMASS 973.2461213619999
AVERAGEMASS 973.81156
SMILES Oc(c5)cc(c2c5OC(O6)C(C(C(O)C6COC(=O)CC(O)=O)O)O)[o+1]c(c(OC(C(O)4)OC(C(O)C(O)4)COC(O3)C(C(C(OC(=O)CC(O)=O)C3C)O)O)c2)c(c1)cc(OC)c(O)c(OC)1
M END
