Mol:FL5FACGA0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-3.2444 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2444 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5432 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8420 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8420 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5432 1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1408 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4395 0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4395 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1408 1.5004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1408 -0.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2614 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9761 1.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6908 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6908 2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9761 2.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2614 2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9454 1.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0574 -0.2043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5432 -0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4899 2.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5291 -1.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 -0.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0275 -1.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2055 -2.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5291 -3.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2960 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4843 -0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7966 -2.5235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2302 -2.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2347 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7923 -0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5953 -0.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3702 -0.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 -0.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1046 -0.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1718 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3250 -1.1282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9454 -0.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9761 3.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 -3.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8067 -2.8279 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
22 23 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 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 19 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
32 37 1 0 0 0 0
33 38 1 0 0 0 0
28 31 1 0 0 0 0
34 39 1 0 0 0 0
16 40 1 0 0 0 0
41 42 1 0 0 0 0
25 41 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 41 42
M SBL 1 1 46
M SMT 1 CH2OH
M SBV 1 46 -0.1342 0.9648
S SKP 5
ID FL5FACGA0004
FORMULA C26H28O16
EXACTMASS 596.137734848
AVERAGEMASS 596.49092
SMILES c(c5O)c(c(c(c5)1)C(C(OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)=C(c(c2)ccc(O)c2O)O1)=O)O
M END
