Mol:FL3FACGS0038
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.4480 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4480 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0527 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0527 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 -0.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3552 -2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6576 -1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6576 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3552 -0.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3552 -2.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0398 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4616 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4616 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 0.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0398 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2514 -0.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7503 -2.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2186 0.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 1.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6674 0.7767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9872 0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2031 1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9872 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6674 2.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4516 1.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4384 2.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9858 2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6809 0.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3872 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9676 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7745 0.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5864 0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0061 1.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1991 1.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5060 1.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8009 1.7556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7162 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 0.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7420 1.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7420 0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9685 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9685 2.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7420 1.5219 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 21 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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
31 32 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 31 1 0 0 0 0
31 37 1 0 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
32 20 1 0 0 0 0
23 18 1 0 0 0 0
40 41 2 0 0 0 0
40 42 1 0 0 0 0
34 40 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
27 43 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 40 41 42
M SBL 1 1 46
M SMT 1 COOH
M SBV 1 46 -0.7090 -0.1842
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 43 44 45
M SBL 2 1 49
M SMT 2 ^COOH
M SBV 2 49 0.5168 -0.4321
S SKP 5
ID FL3FACGS0038
FORMULA C27H26O18
EXACTMASS 638.111914028
AVERAGEMASS 638.4845399999999
SMILES c(c1)(c(OC(C(O)5)OC(C(O)=O)C(O)C(O)5)ccc1C(O2)=CC(=O)c(c4O)c2cc(c4)OC(O3)C(C(C(O)C3C(O)=O)O)O)O
M END
