Mol:FL3FCACS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
1.8183 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 1.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3893 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3893 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8183 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3252 1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0396 0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0396 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3252 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6854 1.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3252 -1.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1038 -1.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6000 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3145 0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0289 1.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0289 2.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3145 2.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6000 2.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6442 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3091 0.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8657 0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4531 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6547 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8612 -0.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2738 0.2891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0722 0.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4104 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0724 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6442 0.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2292 -0.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2142 -0.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0158 -1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0158 -2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8317 -2.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9996 -1.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4639 -1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3810 -1.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8317 -1.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4218 -1.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4938 -0.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 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 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
11 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 9 1 0 0 0 0
39 33 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 1 0 0 0
33 34 1 0 0 0 0
39 35 1 0 0 0 0
40 37 1 0 0 0 0
36 41 1 0 0 0 0
38 40 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
S SKP 5
ID FL3FCACS0029
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c1)(ccc(C(O2)=CC(c(c(O)3)c(cc(OC)c3C(O4)C(OC(O5)C(O)C(C5)(O)CO)C(O)C(O)C4CO)2)=O)c1)O
M END
