Mol:FL3FECGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.7622 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6399 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6399 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 -0.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0419 -0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 0.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -2.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7427 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1718 0.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1718 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7427 1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4572 2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9190 1.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -2.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 0.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 -1.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3501 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7891 -2.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9813 -1.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 -1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 -1.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4749 -1.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9190 -1.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4208 -2.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2039 -2.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0103 -1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9079 -1.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5619 -0.3340 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
16 18 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
2 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 31 1 0 0 0 0
26 22 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
28 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 32 33 34
M SBL 1 1 37
M SMT 1 ^COOH
M SBV 1 37 0.5354 -0.5354
S SKP 5
ID FL3FECGS0006
FORMULA C21H18O13
EXACTMASS 478.07474066199995
AVERAGEMASS 478.35982
SMILES C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)1)c(O)cc(O2)c(C(=O)C=C2c(c3)cc(c(O)c3)O)1)O)O
M END
