Mol:FL7AAAGL0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
85 92 0 0 0 0 0 0 0 0999 V2000
-3.0953 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0953 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6662 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6662 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 0.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2371 -0.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2371 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9517 0.9858 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.4772 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2054 0.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 0.9857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2054 2.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4772 1.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8095 0.9857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6618 2.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3807 -1.3240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4072 -0.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3041 -3.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4436 -3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4080 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7813 -1.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0387 -2.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0336 -3.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3321 -4.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0311 -2.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6213 -1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1793 -1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5429 -1.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9287 -1.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3750 -1.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0251 -1.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1469 -1.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7778 -1.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0530 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0812 0.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6374 0.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0812 1.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4676 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3676 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0125 -3.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7909 -3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 -3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0351 -4.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8312 -4.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2292 -3.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8312 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0351 -3.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0240 -3.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0488 -0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4998 -1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1492 -1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7760 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3206 -0.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7523 -0.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7582 -1.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7291 -1.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4004 -0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8912 0.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6408 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8912 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6097 1.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6097 2.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3393 3.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3393 4.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6097 4.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 4.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 3.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6111 5.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3573 -0.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0922 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2090 -4.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3609 4.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7186 5.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7307 1.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2404 1.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7307 2.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3226 -2.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2404 -3.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2628 -5.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1805 -5.6979 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
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
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
28 43 1 0 0 0 0
43 44 1 0 0 0 0
43 45 2 0 0 0 0
44 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 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 47 1 0 0 0 0
50 53 1 0 0 0 0
54 55 1 1 0 0 0
55 56 1 1 0 0 0
57 56 1 1 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 54 1 0 0 0 0
55 60 1 0 0 0 0
56 61 1 0 0 0 0
20 54 1 0 0 0 0
24 60 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
63 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 71 1 0 0 0 0
71 72 2 0 0 0 0
72 67 1 0 0 0 0
70 73 1 0 0 0 0
57 74 1 0 0 0 0
58 75 1 0 0 0 0
75 62 1 0 0 0 0
22 76 1 0 0 0 0
77 78 1 0 0 0 0
71 77 1 0 0 0 0
79 80 2 0 0 0 0
79 81 1 0 0 0 0
42 79 1 0 0 0 0
82 83 1 0 0 0 0
51 82 1 0 0 0 0
84 85 1 0 0 0 0
49 84 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 0.5193 -0.4633
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 79 80 81
M SBL 2 1 88
M SMT 2 ^ COOH
M SBV 2 88 0.6495 -0.3751
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 82 83
M SBL 3 1 90
M SMT 3 OCH3
M SBV 3 90 -0.4915 -0.6002
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 84 85
M SBL 4 1 92
M SMT 4 OCH3
M SBV 4 92 -0.4316 0.7044
S SKP 5
ID FL7AAAGL0047
FORMULA C56H59O29
EXACTMASS 1195.314200926
AVERAGEMASS 1196.05026
SMILES C(OC(C=Cc(c8)cc(OC)c(O)c8OC)=O)(C1O)C(OC(C(O)6)C(OC(COC(=O)C=Cc(c7)cc(c(O)c7)OC)C(O)6)Oc(c3)c([o+1]c(c5)c3c(cc5O)OC(O4)C(C(C(C4COC(=O)CC(O)=O)O)O)O)c(c2)ccc(O)c2)OCC(O)1
M END
