Mol:FL7AACGL0033
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-2.7075 2.3003 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7075 1.4753 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9931 1.0627 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2786 1.4753 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2786 2.3003 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9931 2.7128 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 1.0627 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1503 1.4753 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1503 2.3003 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 2.7128 0.3620 O 0 3 0 0 0 0 0 0 0 0 0 0
0.8645 2.7127 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5927 2.2922 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3208 2.7127 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3208 3.5534 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5927 3.9739 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8645 3.5534 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4217 2.7127 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0489 3.9738 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9931 0.2381 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9528 0.9622 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 -0.2099 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6687 0.2880 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8371 -0.5867 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6127 -1.3766 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3199 -1.7849 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0955 -0.9998 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3303 0.4502 -0.7211 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6775 -1.4481 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3020 -2.2940 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8524 -2.0790 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0697 0.9232 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 0.2421 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3284 0.5311 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0453 0.5388 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5244 1.0599 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 0.7168 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0316 0.2027 -0.7211 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9824 0.0833 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5870 0.8275 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2535 -2.4810 -0.7211 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -3.2885 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2573 -4.0344 -0.6470 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9708 -3.3044 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2887 -4.0520 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 -4.0679 -0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5802 -3.3507 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3894 -3.3655 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7793 -4.0973 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3601 -4.8145 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5511 -4.7997 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5870 -4.1121 0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1069 -2.7526 0.7211 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5927 4.8145 0.3620 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
40 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 45 1 0 0 0 0
48 51 1 0 0 0 0
47 52 1 0 0 0 0
40 30 1 0 0 0 0
15 53 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0033
FORMULA C35H35O18
EXACTMASS 743.182339316
AVERAGEMASS 743.6415999999999
SMILES C(C3Oc(c(c(c6)ccc(O)c6O)5)cc(c4O)c([o+1]5)cc(O)c4)(C(O)C(O)C(O3)COC(=O)C=Cc(c2)ccc(c(O)2)O)OC(O1)C(O)C(C(O)C1)O
M END
