Mol:FL7AACGL0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.8402 1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8402 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1257 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4113 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4113 1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1257 2.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 1.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 1.8598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 2.2723 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.2681 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4601 1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1883 2.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1883 3.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4601 3.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2681 3.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5544 2.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9162 3.5332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1257 -0.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1065 0.5267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1187 -0.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4436 -1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 -2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0391 -1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2249 0.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6114 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0905 -3.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1639 0.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6798 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1395 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6186 0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9688 0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9440 -0.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0560 -0.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7446 0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4601 4.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 -3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2561 -3.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 -4.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5365 -2.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -2.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3415 0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5544 0.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1007 2.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9482 -3.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4686 -3.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9482 -4.3739 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
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
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
26 28 1 0 0 0 0
25 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
27 30 1 0 0 0 0
22 20 1 0 0 0 0
15 39 1 0 0 0 0
29 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 2 0 0 0 0
43 44 1 0 0 0 0
24 43 1 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
34 45 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
41 48 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 43 44
M SBL 1 1 48
M SMT 1 ^ CH2OH
M SBV 1 48 0.0928 0.7987
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 45 46 47
M SBL 2 1 51
M SMT 2 COOH
M SBV 2 51 -0.7229 0.0000
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 48 49 50
M SBL 3 1 54
M SMT 3 COOH
M SBV 3 54 -0.6920 0.4083
S SKP 5
ID FL7AACGL0040
FORMULA C30H31O20
EXACTMASS 711.1408684319999
AVERAGEMASS 711.55514
SMILES C(C(O)=O)C(=O)OC(C4O)C(OC(C4OC(O5)C(O)C(C(C5C(O)=O)O)O)Oc(c2)c([o+1]c(c3)c(c(cc3O)O)2)c(c1)cc(O)c(c1)O)CO
M END
