Mol:FL7AAHGL0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
68 74 0 0 0 0 0 0 0 0999 V2000
-0.7799 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7799 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6490 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6490 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 3.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3635 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 2.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 2.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3635 3.3426 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.8545 3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5690 2.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2834 3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2834 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5690 4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8545 4.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9236 4.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3599 3.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0655 0.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7281 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9752 2.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7073 3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2413 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0068 -0.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9117 0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2477 0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4821 0.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5771 -0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6353 0.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4231 -1.7462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8954 -1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9387 -0.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7409 -1.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5690 5.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8451 1.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3944 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6086 0.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8040 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2546 1.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0405 1.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9911 0.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4613 1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1350 0.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5681 1.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1957 1.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3446 -2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 -2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 -2.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5238 -2.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9365 -2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1429 -2.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4985 -3.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3124 -3.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7088 -2.6766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2868 -2.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 -3.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7015 -4.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 -3.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3823 -4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2061 -4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6186 -3.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4436 -3.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8561 -4.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4436 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6186 -4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6800 -4.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9755 -5.4064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7073 -5.4064 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
26 20 1 0 0 0 0
15 34 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
37 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
40 44 1 0 0 0 0
44 45 1 0 0 0 0
38 19 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
49 52 1 0 0 0 0
48 53 1 0 0 0 0
47 54 1 0 0 0 0
46 55 1 0 0 0 0
50 33 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 60 1 0 0 0 0
63 66 1 0 0 0 0
54 56 1 0 0 0 0
64 67 1 0 0 0 0
67 68 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAHGL0023
FORMULA C44H51O24
EXACTMASS 963.27702756
AVERAGEMASS 963.86134
SMILES O(C(=O)C=Cc(c7)ccc(c(OC)7)O)C(C1C)C(C(O)C(OCC(C2O)OC(Oc(c5)c(c(c6)cc(c(O)c6OC)O)[o+1]c(c35)cc(O)cc3OC(C(O)4)OC(C(O)C4O)CO)C(C(O)2)O)O1)O
M END
