Mol:FL5FADGA0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.5118 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5117 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7969 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0822 0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7969 1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 -0.6205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3474 -0.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3475 0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 1.0302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6328 -1.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2476 1.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9761 0.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7045 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7046 2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9761 2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2476 2.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7968 -1.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3237 2.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3655 1.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9180 -0.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7821 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0259 -1.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6154 -1.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8657 -2.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0325 -2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5421 -0.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5544 -2.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2243 -2.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7137 1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2531 1.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0388 2.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7136 2.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4996 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4185 3.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9876 3.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1878 2.6300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3237 1.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9705 3.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5376 4.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4376 -3.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9076 -4.2397 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
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
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
21 23 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 20 1 0 0 0 0
41 42 1 0 0 0 0
16 41 1 0 0 0 0
43 44 1 0 0 0 0
25 43 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 0.0057 -0.6357
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 CH2OH
M SBV 2 48 -0.5719 0.6278
S SKP 5
ID FL5FADGA0009
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES OC(C1Oc(c5)cc(c3c5O)OC(c(c4)cc(OC)c(O)c4)=C(C3=O)OC(O2)C(C(C(O)C2CO)O)O)C(C(C(O1)C)O)O
M END
