Mol:FL3FAADS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
49 54 0 0 0 0 0 0 0 0999 V2000
-0.7783 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7783 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0697 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6389 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6389 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0697 1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3476 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0562 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0562 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3476 1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3476 -1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0697 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9222 1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6689 0.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4156 1.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4156 2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6689 2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9222 2.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1619 2.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8039 -0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1470 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4902 -0.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 -0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2276 -0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9368 -0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6416 0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7929 -1.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6400 1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 -1.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1209 -1.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4640 -2.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8073 -1.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9141 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5446 -1.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2538 -1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9795 -1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1531 -2.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3277 -2.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5827 1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9258 0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2690 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0064 1.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7156 1.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1619 1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6435 0.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7889 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2075 1.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 1.1449 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
22 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 29 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 28 1 0 0 0 0
48 49 1 0 0 0 0
44 48 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 54
M SMT 1 ^CH2OH
M SBV 1 54 0.4918 -0.4918
S SKP 5
ID FL3FAADS0010
FORMULA C31H36O18
EXACTMASS 696.190164348
AVERAGEMASS 696.60674
SMILES OC(C(O)6)C(OC(CO)C6O)Oc(c3)c(C(C4OC(O5)C(O)C(C(O)C5)O)OCC(O)C(O)4)c(O)c(c13)C(C=C(c(c2)ccc(c2)O)O1)=O
M END
