Mol:FL5FACGA0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-1.9652 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9652 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2639 -0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5627 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5627 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2639 1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 -0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8397 -0.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8397 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 1.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5407 1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9700 1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9700 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5407 1.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6661 1.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4616 -0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2639 -1.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1652 -2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 -2.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5558 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3745 -2.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7977 -2.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9839 -2.3272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3793 -2.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2102 -0.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0240 -0.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8427 -0.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2658 -0.1224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 -0.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8900 -0.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7175 0.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2088 0.5231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4961 -0.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7061 -1.3843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2144 -2.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0652 -3.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3745 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7690 2.3005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 3.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2126 1.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4208 0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6720 1.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4208 2.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2126 3.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9614 2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7074 3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4208 3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6737 2.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7977 1.2778 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 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 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
16 43 1 0 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
49 44 1 1 0 0 0
48 50 1 0 0 0 0
47 51 1 0 0 0 0
49 52 1 0 0 0 0
44 53 1 0 0 0 0
45 18 1 0 0 0 0
S SKP 5
ID FL5FACGA0023
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(C1O)(O)C(OCC(O2)C(O)C(C(O)C2OC(=C(c(c6)ccc(O)c(O)6)5)C(=O)c(c(O5)4)c(cc(c4)OC(C(O)3)OC(C)C(C3O)O)O)O)OC(C1O)C
M END
