Mol:FL5FFCGL0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
45 49 0 0 0 0 0 0 0 0999 V2000
-3.5856 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5856 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1836 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7816 -0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7816 0.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 0.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4826 -1.5434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3482 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0808 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 -1.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4352 -2.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9466 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8860 -2.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -3.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2864 -2.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3803 -2.4356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5953 -2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1409 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5919 -0.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0256 -0.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0862 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0675 -0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6599 0.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7556 -0.3464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2896 -0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0208 -1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2458 -2.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3767 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 -3.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3428 -0.3972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2864 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0033 2.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8846 1.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6337 2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1898 3.8376 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
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
3 18 1 0 0 0 0
19 20 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 19 1 0 0 0 0
19 25 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 33 1 0 0 0 0
30 34 1 0 0 0 0
29 35 1 0 0 0 0
23 36 1 0 0 0 0
35 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
32 8 1 0 0 0 0
27 32 1 0 0 0 0
26 40 1 0 0 0 0
1 41 1 0 0 0 0
15 42 1 0 0 0 0
6 43 1 0 0 0 0
44 45 1 0 0 0 0
16 44 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 44 45
M SBL 1 1 49
M SMT 1 OCH3
M SBV 1 49 0.0000 -0.5987
S SKP 5
ID FL5FFCGL0008
FORMULA C28H32O17
EXACTMASS 640.163949598
AVERAGEMASS 640.54348
SMILES C(C1O)(O)C(C(OC(C5=O)=C(Oc(c54)c(O)c(O)cc4O)c(c3)ccc(O)c(OC)3)OC1COC(O2)C(C(C(O)C(C)2)O)O)O
M END
