Mol:FL7AAIGL0027
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
62 67 0 0 0 0 0 0 0 0999 V2000
-1.0701 0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3556 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3556 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0701 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7847 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0735 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 2.3523 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7541 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4372 1.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1202 2.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1202 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4372 3.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7541 3.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8296 3.5311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3693 2.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0701 0.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9154 0.6881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4545 4.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0159 4.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8644 1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5328 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2371 -0.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5182 -0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7064 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 -0.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4604 0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2723 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7286 0.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4358 0.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9279 -0.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4543 -0.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9007 -0.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1996 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2777 0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1403 -0.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6611 -1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5830 -0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7206 -0.3414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5568 0.7612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7215 -0.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9279 -1.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3626 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3832 -2.0967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0615 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8810 -4.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6702 -3.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6329 -3.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8135 -2.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0241 -3.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8012 -4.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4477 -4.7207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4536 -3.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0749 -4.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4359 -3.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7603 -4.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0300 -3.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7128 -4.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0300 -2.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4359 -2.9712 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
M CHG 1 10 1
S SKP 5
ID FL7AAIGL0027
FORMULA C38H47O24
EXACTMASS 887.245727432
AVERAGEMASS 887.76538
SMILES C(C(O)1)(C(O)C(OC(Oc(c6)c(c3)c(cc6O)[o+1]c(c(OC(O4)C(C(O)C(C(COC(O5)C(C(C(OC(CC(O)=O)=O)C5C)O)O)4)O)O)3)c(c2)cc(OC)c(O)c(OC)2)1)CO)O
M END
