Mol:FL5FABGS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-1.8770 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8770 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1760 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4749 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4749 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1760 0.8762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9271 -0.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9271 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 0.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2261 -1.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6279 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3424 0.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0569 1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3424 2.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6279 1.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5778 0.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6396 -0.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1760 -1.5518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3683 -2.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1599 -2.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9087 -1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1599 -0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3683 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6193 -1.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5709 -1.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4904 -3.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9689 -3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5061 -2.3394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1093 1.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3175 0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5688 1.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3175 2.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1093 2.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8581 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8297 3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3175 3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5070 2.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7560 1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8557 2.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7560 1.6425 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
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
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 19 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 18 1 0 0 0 0
41 42 1 0 0 0 0
15 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 -0.7988 -0.4612
S SKP 5
ID FL5FABGS0007
FORMULA C28H32O14
EXACTMASS 592.179205732
AVERAGEMASS 592.54528
SMILES OC(C1Oc(c2)cc(c(C(=O)3)c2OC(c(c5)ccc(c5)OC)=C3OC(C4O)OC(C)C(C4O)O)O)C(C(C(O1)C)O)O
M END
