Mol:FL5FADGA0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-3.0920 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0920 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3910 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6899 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3910 1.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2879 0.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2879 1.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 1.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9889 -0.5225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4128 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 1.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 1.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8418 2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1273 2.9649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4128 2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7927 1.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4164 0.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3910 -0.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1607 -1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7377 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5512 -1.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3696 -2.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7927 -1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9792 -1.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 -1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4433 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0203 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8338 0.1119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6522 -0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0753 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 0.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6384 0.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5362 0.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0148 1.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3055 0.0224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6186 -0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0249 -1.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0195 -2.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3696 -2.7443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5425 3.0367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7324 -4.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2802 -4.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4779 -3.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0508 -2.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1277 -2.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0152 -3.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -4.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2372 -4.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4514 -2.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1352 3.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6914 4.7996 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
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 19 1 0 0 0 0
42 15 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 39 1 0 0 0 0
52 53 1 0 0 0 0
16 52 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 52 53
M SBL 1 1 58
M SMT 1 OCH3
M SBV 1 58 -0.0079 -0.7040
S SKP 5
ID FL5FADGA0011
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=O)(c21)C(OC(O4)C(C(C(O)C(COC(C6O)OC(C(C6O)OC(O5)C(C(O)C(C5)O)O)C)4)O)O)=C(c(c3)cc(c(c3)O)OC)Oc1cc(O)cc(O)2
M END
