Mol:FL5FFCGS0026
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
3.4662 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7518 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7518 2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4662 2.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1806 2.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1806 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0373 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3229 1.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6084 0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3229 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0373 0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8205 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8205 0.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 -0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3229 -0.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5349 1.6268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7518 -0.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 -0.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8951 2.8643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4662 3.6892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1060 2.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7966 2.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2027 4.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7901 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6008 -2.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 -1.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 -0.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8429 -0.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4800 -1.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7418 -1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6576 -2.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1869 -2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8684 -1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1525 -1.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4486 -2.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9529 -3.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1363 -3.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3731 -3.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1314 -2.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6854 -2.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2002 -2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8672 -3.6099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5210 -4.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2483 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8357 1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0373 1.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2440 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6564 2.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4548 1.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7342 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4615 2.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8951 1.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5099 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4281 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 13 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
16 20 1 0 0 0 0
5 21 1 0 0 0 0
4 22 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
28 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
31 35 1 0 0 0 0
35 36 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
41 40 1 1 0 0 0
41 42 1 0 0 0 0
42 37 1 0 0 0 0
38 43 1 0 0 0 0
37 44 1 0 0 0 0
39 45 1 0 0 0 0
40 46 1 0 0 0 0
36 41 1 0 0 0 0
29 19 1 0 0 0 0
47 48 1 1 0 0 0
48 49 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
47 55 1 0 0 0 0
48 56 1 0 0 0 0
49 57 1 0 0 0 0
50 18 1 0 0 0 0
S SKP 5
ID FL5FFCGS0026
FORMULA C35H44O22
EXACTMASS 816.232423092
AVERAGEMASS 816.71066
SMILES C(=O)(c24)C(OC(O5)C(O)C(O)C(O)C5COC(C6O)OC(C)C(C6O)O)=C(Oc2c(c(cc4O)OC(O3)C(C(O)C(C(CO)3)O)O)OC)c(c1)ccc(c1OC)O
M END
