Mol:FL3FACCS0050
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
1.7216 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 1.1006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2926 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2926 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 -0.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7216 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4218 1.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1363 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1363 -0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4218 -0.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7820 1.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4218 -1.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0071 -1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2178 0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9323 1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2178 2.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 1.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5475 2.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9031 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9047 0.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4920 -0.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6937 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3128 0.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1112 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4062 0.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0367 0.6735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5865 0.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1211 -0.2947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 -0.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5865 0.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0878 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0878 -2.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 -2.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0716 -1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5359 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4530 -1.4322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 -1.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4938 -1.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5658 -0.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 9 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 26 1 0 0 0 0
26 22 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
16 32 1 0 0 0 0
21 24 1 1 0 0 0
21 25 1 0 0 0 0
39 33 1 1 0 0 0
38 33 1 1 0 0 0
37 39 1 1 0 0 0
33 34 1 0 0 0 0
39 35 1 0 0 0 0
40 37 1 0 0 0 0
36 41 1 0 0 0 0
38 40 1 0 0 0 0
33 36 1 0 0 0 0
31 37 1 0 0 0 0
S SKP 5
ID FL3FACCS0050
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES c(c1)c(c(cc1C(=C5)Oc(c2)c(C5=O)c(c(C(O3)C(OC(C(O)4)OCC4(O)CO)C(C(O)C(CO)3)O)c2O)O)O)O
M END
