Mol:FL3FAACS0023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.3255 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1040 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5335 0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 1.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8188 -1.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 1.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6108 -1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0807 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8339 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8339 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0807 2.5719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3276 2.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5867 2.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6531 0.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2082 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5676 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8999 -0.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3987 0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0530 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1903 -0.0524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8384 -0.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9310 -0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1081 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4425 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7993 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8177 -1.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4609 -1.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8103 -1.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9026 -1.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2909 -2.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1522 -2.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5628 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5867 0.7803 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
1 12 1 0 0 0 0
3 13 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
14 9 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
30 31 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 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 39 1 0 0 0 0
34 29 1 0 0 0 0
24 2 1 0 0 0 0
40 41 1 0 0 0 0
26 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^CH2OH
M SBV 1 45 0.5098 -0.4899
S SKP 5
ID FL3FAACS0023
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES c(c5)(ccc(c5)C(=C4)Oc(c(C4=O)3)cc(O)c(c3O)C(C(OC(C(O)2)OC(C)C(C(O)2)O)1)OC(C(O)C1O)CO)O
M END
