Mol:FL5FACGS0083
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
1.6157 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6157 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3302 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0447 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0447 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3302 3.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9014 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1869 1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5276 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5276 0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1869 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9014 0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2421 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9565 1.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9565 0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2421 0.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1869 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6709 1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1826 0.5815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2421 -0.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6365 3.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6732 1.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 -0.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 -0.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1252 1.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6608 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7438 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2931 0.3747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7030 0.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6310 1.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6475 -1.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 -2.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5693 -1.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2933 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4975 -0.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0764 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4939 -1.3577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8560 -2.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2920 -2.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6106 -1.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1056 -1.7537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5696 -1.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3556 -1.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6159 -2.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1658 -2.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3798 -2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1195 -2.0992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6732 -1.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1368 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4777 -2.0246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6709 -3.2214 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
29 23 1 1 0 0 0
28 23 1 1 0 0 0
27 29 1 1 0 0 0
23 24 1 0 0 0 0
29 25 1 0 0 0 0
30 27 1 0 0 0 0
26 31 1 0 0 0 0
28 30 1 0 0 0 0
23 26 1 0 0 0 0
22 27 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
34 38 1 0 0 0 0
32 39 1 0 0 0 0
33 40 1 0 0 0 0
37 41 1 0 0 0 0
41 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
44 49 1 0 0 0 0
43 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
42 47 1 0 0 0 0
35 19 1 0 0 0 0
S SKP 5
ID FL5FACGS0083
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES C(C2O)(O)C(OC(OC(C4=O)=C(c(c6)cc(c(c6)O)OC(C(O)5)OCC5(CO)O)Oc(c43)cc(O)cc3O)C2O)COC(C1O)OC(C(C1O)O)C
M END
