Mol:FL7AAIGL0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
90 98 0 0 0 0 0 0 0 0999 V2000
-0.9904 3.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2722 3.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2722 4.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9904 5.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7085 4.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7084 3.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 3.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 3.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1640 4.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4459 5.0935 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.8481 5.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5347 4.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2213 5.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2213 5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5347 6.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8481 5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9264 6.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2960 5.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0816 2.9174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8361 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4193 2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7131 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8843 2.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9138 2.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6197 3.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4488 2.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1014 2.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5625 2.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1186 1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1914 3.7745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4933 3.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4639 3.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9968 3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0262 3.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4181 3.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8291 3.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9654 2.9688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1258 2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4030 2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7017 1.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2164 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1497 0.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0885 0.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5739 1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6406 0.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1154 -0.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6390 -0.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9418 1.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5136 0.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0166 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 2.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2730 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1450 0.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2555 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0566 1.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4572 0.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0567 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2555 -0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9493 0.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9551 -1.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9862 -1.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6754 -1.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9393 -0.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9083 -0.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2192 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9458 -2.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3116 -2.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7108 -0.8526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2650 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4909 -2.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2550 -2.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9654 -2.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2550 -3.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5331 -4.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5357 -5.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2479 -5.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2431 -6.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5263 -6.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8142 -6.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8189 -5.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7111 -6.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5263 -7.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5329 6.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2323 7.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1736 3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3194 3.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9692 4.6967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6534 5.0919 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
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
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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
31 20 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
40 45 1 0 0 0 0
44 47 1 0 0 0 0
43 48 1 0 0 0 0
41 49 1 0 0 0 0
42 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
51 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 59 1 0 0 0 0
59 60 2 0 0 0 0
60 55 1 0 0 0 0
79 83 1 0 0 0 0
80 84 1 0 0 0 0
58 61 1 0 0 0 0
62 63 1 1 0 0 0
63 64 1 1 0 0 0
65 64 1 1 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 62 1 0 0 0 0
62 68 1 0 0 0 0
63 69 1 0 0 0 0
64 70 1 0 0 0 0
65 61 1 0 0 0 0
67 71 1 0 0 0 0
71 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
75 76 2 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 2 0 0 0 0
82 77 1 0 0 0 0
85 86 1 0 0 0 0
15 85 1 0 0 0 0
87 88 1 0 0 0 0
26 87 1 0 0 0 0
89 90 1 0 0 0 0
13 89 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 85 86
M SBL 1 1 94
M SMT 1 OCH3
M SBV 1 94 0.0018 -0.7048
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 87 88
M SBL 2 1 96
M SMT 2 ^ CH2OH
M SBV 2 96 0.7248 -0.5454
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 89 90
M SBL 3 1 98
M SMT 3 OCH3
M SBV 3 98 -0.7480 0.3772
S SKP 5
ID FL7AAIGL0025
FORMULA C59H67O31
EXACTMASS 1271.366630426
AVERAGEMASS 1272.1446799999999
SMILES c(c(O)1)(ccc(C=CC(OCC(O2)C(O)C(O)C(C2Oc(c9)ccc(c9)C=CC(OC(C(C)3)C(C(O)C(OCC(C(O)4)OC(Oc(c7)c(c(c8)cc(OC)c(O)c8OC)[o+1]c(c75)cc(cc5OC(C6O)OC(C(C6O)O)CO)O)C(O)C4O)O3)O)=O)O)=O)c1)O
M END
