Mol:FL3FA8GS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.1406 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1406 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5607 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2619 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5607 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9631 -1.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6643 -0.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6643 0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9631 0.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9645 -1.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0801 0.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7948 0.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7948 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0801 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3653 1.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8416 0.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9831 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3330 -0.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 0.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1502 0.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9691 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7784 0.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2211 -0.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5295 -0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6508 1.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5621 -1.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7549 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7948 1.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2352 1.9547 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
19 20 1 1 0 0 0
20 21 1 1 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 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
17 28 1 0 0 0 0
3 29 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
24 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 30 31 32
M SBL 1 1 35
M SMT 1 ^COOH
M SBV 1 35 0.7858 -0.7263
S SKP 5
ID FL3FA8GS0001
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(C(O)2)OC(C(O)=O)C(O)C2O)(c(O)1)cccc1
M END
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