Mol:FL7AAGGL0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
-0.7193 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7193 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7097 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7097 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4242 1.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1386 2.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4242 3.2851 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.9152 3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6296 2.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3441 3.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3441 4.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6296 4.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9152 4.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9843 4.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9971 1.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2992 3.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0048 0.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6296 5.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 2.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8841 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5578 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2761 0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7552 0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0369 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5140 -0.8675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 -1.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5281 -1.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8892 0.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5209 -1.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7254 1.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2133 0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4538 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6358 0.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1478 1.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9074 0.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2290 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9915 1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3381 0.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9410 0.4338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 0.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 -2.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6909 -3.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4844 -3.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2827 -3.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6955 -2.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9019 -2.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 -3.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0508 -3.7642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4914 -2.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0711 -3.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4755 -3.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 -4.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2994 -3.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7113 -4.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 -4.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9477 -3.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7727 -3.8607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1852 -4.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7727 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9477 -5.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0091 -4.5752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1847 -3.1472 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
14 17 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
13 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
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
26 18 1 0 0 0 0
33 29 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 20 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
48 47 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
47 52 1 0 0 0 0
45 53 1 0 0 0 0
49 33 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 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 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
61 66 1 0 0 0 0
54 46 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGL0049
FORMULA C42H47O24
EXACTMASS 935.245727432
AVERAGEMASS 935.80818
SMILES C(C1O)(C(C(COC(C(O)7)OC(C)C(C7O)OC(=O)C=Cc(c6)cc(c(O)c6)O)OC1Oc(c3c(c5)cc(c(c(O)5)O)O)cc(c2OC(C4O)OC(C(C(O)4)O)CO)c([o+1]3)cc(c2)O)O)O
M END
