Mol:FL7AAAGL0045
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
83 90 0 0 0 0 0 0 0 0999 V2000
-3.3840 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3840 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6214 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8588 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8588 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6214 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0963 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3337 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3337 0.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0963 1.3293 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4285 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2057 0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9830 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9830 2.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2057 2.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4285 2.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1463 1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7599 2.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6214 -1.2238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3069 -0.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3573 -3.6543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4406 -3.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4027 -2.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8010 -1.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0742 -2.2386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0031 -3.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3416 -4.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0293 -2.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0126 -1.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5409 -2.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8617 -1.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2062 -1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6826 -1.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3764 -1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4856 -1.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1796 -2.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2289 -2.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8482 -1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9503 -0.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4318 -1.1860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 -0.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 -0.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3077 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7013 -0.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7063 -1.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7217 -1.2764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0199 0.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5436 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3434 0.2768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5436 1.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3104 2.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3104 3.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0889 3.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0889 4.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3104 5.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5319 4.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5319 3.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3104 6.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3038 -0.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 -0.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3017 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8892 -4.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2368 -3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7043 -4.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -4.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0400 -4.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8455 -4.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2482 -4.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8455 -3.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0400 -3.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0530 -4.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8482 -0.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4092 0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1534 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1493 1.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1929 -4.0941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4709 -2.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4502 -3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1966 -5.5018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1760 -6.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7264 1.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4502 1.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4985 2.7923 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
34 38 1 0 0 0 0
32 19 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
40 45 1 0 0 0 0
41 46 1 0 0 0 0
20 39 1 0 0 0 0
24 45 1 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 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 54 1 0 0 0 0
54 55 2 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
57 52 1 0 0 0 0
55 58 1 0 0 0 0
42 59 1 0 0 0 0
43 60 1 0 0 0 0
60 47 1 0 0 0 0
28 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 2 0 0 0 0
64 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 65 1 0 0 0 0
68 71 1 0 0 0 0
38 72 1 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
22 76 1 0 0 0 0
77 78 1 0 0 0 0
69 77 1 0 0 0 0
79 80 1 0 0 0 0
67 79 1 0 0 0 0
81 82 2 0 0 0 0
81 83 1 0 0 0 0
75 81 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 77 78
M SBL 1 1 85
M SMT 1 OCH3
M SBV 1 85 -0.6254 -0.8323
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 79 80
M SBL 2 1 87
M SMT 2 OCH3
M SBV 2 87 -0.3511 0.5362
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 81 82 83
M SBL 3 1 90
M SMT 3 ^ COOH
M SBV 3 90 0.5771 -0.5552
S SKP 5
ID FL7AAAGL0045
FORMULA C55H57O28
EXACTMASS 1165.30363624
AVERAGEMASS 1166.02428
SMILES O(C(O8)C(O)C(O)C(O)C(COC(=O)CC(O)=O)8)c(c13)cc(cc1[o+1]c(c(OC(C5OC(O6)C(OC(C=Cc(c7)cc(OC)c(c(OC)7)O)=O)C(C(O)C6)O)OC(C(O)C5O)COC(C=Cc(c4)ccc(O)c4)=O)c3)c(c2)ccc(O)c2)O
M END
