Mol:FL3FCBCS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
-1.8406 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8406 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1259 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4113 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1259 1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0180 1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 1.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3034 -0.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1259 -0.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8118 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5650 1.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3180 1.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3180 2.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5650 3.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8118 2.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2090 0.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7642 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1237 0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4561 0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9547 0.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6090 0.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8620 0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4389 0.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 -0.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5402 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8746 -1.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2315 -1.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5846 -1.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2502 -0.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8933 -1.0737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3442 -0.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3359 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5930 -1.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5523 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8509 -2.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3510 -2.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8390 -3.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4632 1.7266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1055 2.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0278 1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9885 1.4671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0706 3.0885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9885 2.5586 0.0000 C 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
13 9 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
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 27 1 0 0 0 0
22 2 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
38 37 1 0 0 0 0
41 42 1 0 0 0 0
1 41 1 0 0 0 0
43 44 1 0 0 0 0
24 43 1 0 0 0 0
45 46 1 0 0 0 0
16 45 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 ^ OCH3
M SBV 1 46 0.6226 -0.3811
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 43 44
M SBL 2 1 48
M SMT 2 ^ CH2OH
M SBV 2 48 0.4188 -0.5478
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 45 46
M SBL 3 1 50
M SMT 3 OCH3
M SBV 3 50 -0.7525 -0.4345
S SKP 5
ID FL3FCBCS0007
FORMULA C31H36O15
EXACTMASS 648.2054204819999
AVERAGEMASS 648.60854
SMILES C(C(OC(O5)C(OC(C)=O)C(C(C5C)O)O)4)(OC(CO)C(O)C4O)c(c(O)1)c(OC)cc(O2)c1C(C=C2c(c3)ccc(OC)c3)=O
M END
