Mol:FL7AACGL0061
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
80 87 0 0 0 0 0 0 0 0999 V2000
-3.6666 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6666 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 -0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2377 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 1.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 -0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5232 1.2537 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.0946 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3618 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3618 2.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 2.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 2.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3808 1.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 2.5146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 -1.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1080 -0.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6422 -0.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1581 -0.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6180 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0971 -0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4471 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4378 -0.8994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5962 -1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1925 -0.3221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6336 3.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4977 -1.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0211 -1.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3346 -1.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6722 -1.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1536 -1.0550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7541 -1.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1150 -1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6759 -1.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7937 -2.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8063 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6084 -3.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1391 -3.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1036 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4768 -1.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3431 -1.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2708 -2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5746 -4.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8517 -1.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1532 0.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9086 0.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9192 2.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9208 2.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2657 3.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 4.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9244 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6828 3.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6810 3.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9264 5.2518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4930 0.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2827 -2.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9001 -3.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2296 -2.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6271 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4210 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 -4.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8325 -4.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3031 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8325 -2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8915 -2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8741 -3.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1170 -3.6913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3112 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8762 -0.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7823 4.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1253 5.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9854 -4.9986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9030 -5.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1973 -2.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1150 -2.6826 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 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
22 27 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
15 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
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 19 1 0 0 0 0
25 40 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
20 21 1 0 0 0 0
27 44 1 0 0 0 0
48 43 1 0 0 0 0
49 50 2 0 0 0 0
49 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 57 1 0 0 0 0
57 58 2 0 0 0 0
58 53 1 0 0 0 0
56 59 1 0 0 0 0
60 49 1 0 0 0 0
60 40 1 0 0 0 0
48 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
42 72 1 0 0 0 0
73 74 1 0 0 0 0
36 73 1 0 0 0 0
75 76 1 0 0 0 0
55 75 1 0 0 0 0
77 78 1 0 0 0 0
67 77 1 0 0 0 0
79 80 1 0 0 0 0
69 79 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 73 74
M SBL 1 1 81
M SMT 1 ^ CH2OH
M SBV 1 81 0.5571 -0.6136
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 75 76
M SBL 2 1 83
M SMT 2 ^ OCH3
M SBV 2 83 0.4852 -0.4099
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 77 78
M SBL 3 1 85
M SMT 3 OCH3
M SBV 3 85 -0.1528 0.6008
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 79 80
M SBL 4 1 87
M SMT 4 OCH3
M SBV 4 87 -0.3648 -0.6151
S SKP 5
ID FL7AACGL0061
FORMULA C53H57O27
EXACTMASS 1125.308721618
AVERAGEMASS 1126.0034799999999
SMILES c(c(O)1)cc(c(c(OC(O5)C(OC(O8)C(C(O)C(C8)O)OC(=O)C=Cc(c7)cc(c(O)c(OC)7)OC)C(C(C5COC(=O)C=Cc(c6)ccc(O)c(OC)6)O)O)2)[o+1]c(c4)c(c(cc4O)OC(O3)C(C(C(O)C3CO)O)O)c2)cc(O)1
M END
