Mol:FL5FAAGL0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-3.1705 2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1705 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7683 2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 3.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 1.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3661 2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 3.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 1.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3348 3.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 2.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7638 3.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7638 4.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0494 4.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3348 4.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4694 0.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8714 3.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4783 4.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4415 1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 0.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2951 0.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4081 1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7678 1.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9760 1.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8629 1.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2598 1.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8714 0.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9135 1.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2237 0.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4254 -0.2308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5406 -1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3541 -1.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1727 -1.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5959 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7822 -1.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2617 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0129 -1.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9653 -2.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1328 -2.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9116 -3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4885 -3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3022 -3.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1208 -3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5438 -3.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7302 -3.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1258 -3.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9608 -3.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7910 -4.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1015 -4.5935 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
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
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
24 28 1 0 0 0 0
23 29 1 0 0 0 0
26 21 1 0 0 0 0
25 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
37 32 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 1 0 0 0
45 46 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
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 51 1 0 0 0 0
46 52 1 0 0 0 0
47 42 1 0 0 0 0
S SKP 5
ID FL5FAAGL0024
FORMULA C33H40O19
EXACTMASS 740.216379098
AVERAGEMASS 740.6593
SMILES OC(C(COC(O5)C(OC(C6O)OC(C(C6O)O)C)C(O)C(C(C)5)O)1)C(O)C(O)C(OC(C3=O)=C(Oc(c4)c(c(O)cc4O)3)c(c2)ccc(O)c2)O1
M END
