Mol:FL4DAAGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.1564 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2724 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2724 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1564 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 -1.1717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7012 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7012 0.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 0.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9868 -1.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4962 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2215 0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9466 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9466 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2215 1.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4962 1.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8658 0.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3434 -1.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6717 1.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 -1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4153 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6370 -1.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9872 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2596 -0.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9836 0.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6558 -0.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5768 -1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1086 -0.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4826 -0.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5220 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3528 1.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9415 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9796 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1488 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5602 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5680 -0.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6717 0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1965 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6857 1.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0845 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8931 1.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
15 20 1 0 0 0 0
2 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
23 28 1 0 0 0 0
24 29 1 0 0 0 0
18 25 1 0 0 0 0
22 30 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 1 0 0 0
34 33 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
30 35 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
31 40 1 0 0 0 0
41 42 1 0 0 0 0
27 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 ^ CH2OH
M SBV 1 46 0.4287 -0.7142
S SKP 5
ID FL4DAAGS0011
FORMULA C27H32O15
EXACTMASS 596.174120354
AVERAGEMASS 596.5339799999999
SMILES Oc(c5)ccc(c5)C(C(O)4)Oc(c(C4=O)1)cc(OC(O3)C(C(O)C(C3CO)OC(O2)C(O)C(O)C(O)C(C)2)O)cc1O
M END
