Mol:FL7AACGL0041
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 54 0 0 0 0 0 0 0 0999 V2000
-3.8757 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8757 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4467 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4467 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 1.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7322 -0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0178 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0178 1.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7322 1.6341 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-0.3035 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1529 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3035 2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5898 1.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8809 2.8951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 -0.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2389 -0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4172 -1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3406 -0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1181 -1.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0363 -2.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8249 -2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4051 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2333 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0943 -2.3696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7589 -3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1855 -3.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6056 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3875 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0947 -0.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6722 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9725 -0.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9732 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 -1.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7628 -0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4247 3.6055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4551 -3.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 -3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1671 -2.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8302 -3.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4687 -0.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5898 -0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4505 0.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9378 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7886 -2.6138 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
24 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
34 39 1 0 0 0 0
27 31 1 0 0 0 0
22 20 1 0 0 0 0
15 40 1 0 0 0 0
30 41 1 0 0 0 0
42 43 1 0 0 0 0
42 41 1 0 0 0 0
42 44 2 0 0 0 0
45 46 2 0 0 0 0
45 47 1 0 0 0 0
35 45 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
43 48 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 45 46 47
M SBL 1 1 51
M SMT 1 COOH
M SBV 1 51 -0.7965 0.0462
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 48 49 50
M SBL 2 1 54
M SMT 2 ^ COOH
M SBV 2 54 0.7707 -0.4450
S SKP 5
ID FL7AACGL0041
FORMULA C30H31O20
EXACTMASS 711.1408684319999
AVERAGEMASS 711.55514
SMILES O(C1Oc(c3)c(c(c5)cc(O)c(c5)O)[o+1]c(c4)c3c(cc4O)O)C(COC(=O)CC(O)=O)C(O)C(C1OC(O2)C(O)C(O)C(O)C2C(O)=O)O
M END
