Mol:FL7AAAGL0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.9408 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9408 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2263 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5118 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5118 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2263 0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7972 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0827 -0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0827 0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7972 0.4505 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.6315 0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0880 0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0880 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3598 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6315 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6550 0.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 1.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2263 -2.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5808 -1.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0772 -4.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 -3.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7892 -3.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1625 -2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3424 -2.8102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4148 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0579 -4.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4756 -2.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5080 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0661 -2.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4297 -2.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8155 -2.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2618 -1.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9120 -2.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9499 -2.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7706 -2.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8986 -2.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1824 -1.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6335 -1.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2829 -1.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9096 -1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4543 -0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 -1.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9112 -1.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8833 -1.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3704 -0.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9629 -0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7124 -0.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9629 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 2.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4109 2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4109 3.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 4.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9519 3.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9519 2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2239 4.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6814 4.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3065 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9989 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5583 -4.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4505 -1.7336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4109 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1869 -3.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8682 -3.0609 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
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 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
23 28 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 29 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 19 1 0 0 0 0
38 39 1 1 0 0 0
39 40 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
39 44 1 0 0 0 0
40 45 1 0 0 0 0
20 38 1 0 0 0 0
24 44 1 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 51 1 0 0 0 0
55 57 1 0 0 0 0
54 58 1 0 0 0 0
41 59 1 0 0 0 0
42 60 1 0 0 0 0
60 46 1 0 0 0 0
22 61 1 0 0 0 0
62 63 1 0 0 0 0
34 62 1 0 0 0 0
64 65 1 0 0 0 0
26 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 62 63
M SBL 1 1 69
M SMT 1 ^ CH2OH
M SBV 1 69 0.5386 -0.4303
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 64 65
M SBL 2 1 71
M SMT 2 ^ CH2OH
M SBV 2 71 0.6018 0.2665
S SKP 5
ID FL7AAAGL0048
FORMULA C42H47O23
EXACTMASS 919.25081281
AVERAGEMASS 919.8087800000001
SMILES C(C(C3O)OC(Oc(c5c(c7)ccc(O)c7)cc(c(OC(C6O)OC(CO)C(C6O)O)4)c([o+1]5)cc(O)c4)C(C(O)3)OC(O2)C(O)C(O)C(C2CO)O)OC(=O)C=Cc(c1)ccc(c1O)O
M END
