Mol:FL5FADGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.5307 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5307 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1017 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1017 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 -1.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6728 0.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 0.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3873 -1.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6833 0.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6833 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2269 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8162 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 1.9731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3841 0.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1026 -1.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -2.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0243 -2.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -1.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5549 -1.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7731 -1.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6163 -1.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5906 -3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1091 -3.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5396 -2.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4085 -1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9244 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6674 -1.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3841 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8632 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2134 -1.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3278 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0132 -2.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3725 -2.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9698 2.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5366 3.7262 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
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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
35 40 1 0 0 0 0
32 28 1 0 0 0 0
41 42 1 0 0 0 0
16 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 OCH3
M SBV 1 46 -0.0148 -0.6768
S SKP 5
ID FL5FADGS0011
FORMULA C27H30O15
EXACTMASS 594.15847029
AVERAGEMASS 594.5181
SMILES C(C2OC(C3=O)=C(c(c5)ccc(c5OC)O)Oc(c4)c(c(cc4O)O)3)(C(O)C(C(C)O2)O)OC(O1)C(C(C(C1)O)O)O
M END
