Mol:FL2FACGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.4413 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2627 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9666 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9666 -0.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2627 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4413 -0.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6706 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3746 -1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3746 -0.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6706 0.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6706 -2.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2627 -2.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1260 0.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1580 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8725 -0.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5870 0.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5870 1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8725 1.4243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1580 1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3015 1.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1356 0.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5676 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7496 -0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 -0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3694 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7202 0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3692 -0.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9893 -0.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8725 2.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1311 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9608 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3015 1.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 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 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
9 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
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 13 1 0 0 0 0
18 30 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
26 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 31 32 33
M SBL 1 1 36
M SMT 1 ^ COOH
M SBV 1 36 0.7618 -0.6180
S SKP 5
ID FL2FACGS0010
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES C(C(Oc(c4)cc(c(c4O)3)OC(CC(=O)3)c(c2)cc(c(O)c2)O)1)(O)C(O)C(C(C(O)=O)O1)O
M END
