Mol:FL3FAAGS0033
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-2.9042 -0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9042 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2032 -1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5022 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5022 -0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2032 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 -1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 -1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1002 -0.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 0.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8012 -2.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6006 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3151 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0296 0.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0296 0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3151 1.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6006 0.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5030 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2032 -2.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6421 1.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4341 -0.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7216 -0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5198 -0.2727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0959 0.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8085 -0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0104 -0.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1252 0.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5405 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7566 -0.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7241 -1.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4124 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9727 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6687 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1084 -0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2630 -0.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5958 -0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7934 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3538 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1991 1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0497 1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4894 1.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6439 1.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1432 1.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1377 2.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1252 1.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7128 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9998 0.5413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4245 -0.7753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4142 -1.3804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6687 -1.6641 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 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
3 19 1 0 0 0 0
15 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 1 0 0 0 0
31 32 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 31 1 0 0 0 0
31 37 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 38 1 0 0 0 0
38 44 1 0 0 0 0
43 45 1 0 0 0 0
42 46 1 0 0 0 0
41 47 1 0 0 0 0
35 48 1 0 0 0 0
47 48 1 0 0 0 0
32 49 1 0 0 0 0
33 50 1 0 0 0 0
34 51 1 0 0 0 0
39 20 1 0 0 0 0
S SKP 5
ID FL3FAAGS0033
FORMULA C33H40O18
EXACTMASS 724.2214644759999
AVERAGEMASS 724.6599
SMILES OC(C1COC(C6O)OC(C)C(C(O)6)O)C(C(O)C(Oc(c5)ccc(c5)C(O2)=CC(=O)c(c(O)4)c2cc(c4)OC(O3)C(C(O)C(C3C)O)O)O1)O
M END
