Mol:FL3FE9GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.1746 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1746 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2231 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2231 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6208 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6208 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 0.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0596 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8003 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8003 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0596 1.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 -1.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 0.5686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 -1.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2398 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5341 -0.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6669 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 0.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3746 0.8494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8277 -0.3657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8003 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2699 -0.4141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7690 0.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3743 1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4135 0.9220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8730 -1.0447 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
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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
23 18 1 0 0 0 0
22 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
2 32 1 0 0 0 0
S SKP 5
ID FL3FE9GS0001
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)cccc3)2)c1O)O)O
M END
