Mol:FL7AACGA0010
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-0.7110 1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0035 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7181 1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0035 2.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4326 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1471 0.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1471 1.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4326 2.1049 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.8614 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5897 1.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3180 2.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3180 2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5897 3.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8614 2.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4253 2.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8411 3.3027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0035 -0.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7571 0.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 -0.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4111 -0.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6802 -1.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3551 -2.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0623 -2.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0501 -0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2978 -1.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6538 -2.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5371 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8741 0.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3900 -0.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1330 -0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8499 -0.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3290 0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6789 0.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7315 -0.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7870 -0.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2977 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5911 4.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1125 -3.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4085 -3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0683 -3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7548 -3.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 -3.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9358 -3.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3352 -3.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0299 -3.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5623 -3.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3970 -4.0197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -2.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9101 -2.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7966 -2.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8173 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4221 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2168 -2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8925 -2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5451 -2.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1979 -2.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1979 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5451 -3.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8925 -3.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7450 -3.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6555 -2.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2977 -1.4273 0.0000 C 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
15 40 1 0 0 0 0
30 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 41 1 0 0 0 0
47 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 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 0 0 0 0
59 64 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 ^ OCH3
M SBV 1 71 0.4576 -0.3191
S SKP 5
ID FL7AACGA0010
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES c(c(O)1)cc(C=CC(=O)OCC(O2)C(O)C(O)C(O)C(OCC(O3)C(O)C(C(OC(O7)C(O)C(O)C(C7)O)C(Oc(c4)c(c(c6)ccc(O)c6O)[o+1]c(c5)c4c(O)cc5O)3)O)2)cc1OC
M END
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