Mol:FL7AAHGO0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-1.5775 -0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5775 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 -1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1481 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1481 -0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5667 -1.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2814 -1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2814 -0.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5667 0.1316 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.9958 0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 -0.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4527 0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4527 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 1.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9958 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2919 0.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1577 1.3795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1622 -1.6182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1056 -0.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5569 -2.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3512 -2.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7803 -1.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5851 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7908 -1.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3616 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3111 -1.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8874 -3.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5171 -3.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5452 -2.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2636 -2.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8187 -2.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1782 -2.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5105 -2.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0092 -2.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6636 -2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8832 -2.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4835 -2.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4590 -3.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2849 -1.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5452 -1.5557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7242 2.0364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2914 3.1891 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
13 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
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
20 26 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
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 19 1 0 0 0 0
41 42 1 0 0 0 0
37 41 1 0 0 0 0
43 44 1 0 0 0 0
15 43 1 0 0 0 0
M CHG 1 10 1
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 0.6213 -0.5857
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 OCH3
M SBV 2 48 0.0000 -0.6432
S SKP 5
ID FL7AAHGS0003
FORMULA C28H33O16
EXACTMASS 625.176860008
AVERAGEMASS 625.55202
SMILES OC(C1O)C(Oc(c52)cc(cc2[o+1]c(c(c5)OC(O4)C(O)C(O)C(C(C)4)O)c(c3)cc(c(O)c3O)OC)O)OC(C1O)CO
M END
