Mol:FL1CDAGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
52 56 0 0 0 0 0 0 0 0999 V2000
-3.4209 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4209 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7064 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9919 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9919 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7064 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5630 0.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5630 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1515 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 1.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5804 1.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5804 2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8659 3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1515 2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2775 -0.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1038 0.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8668 0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7649 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3316 2.0342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4334 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9530 0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3664 0.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7310 0.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3555 1.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7064 -0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1076 1.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8043 0.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5305 2.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 1.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3630 2.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7226 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1707 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1707 -1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3548 -1.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1869 -0.7687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7226 -1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8055 -1.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3548 -1.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7647 -0.8889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6927 -0.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9974 -1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3716 -2.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1735 -1.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7616 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0623 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4748 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2998 -1.6291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7123 -2.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2998 -3.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4748 -3.0580 0.0000 C 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
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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
29 23 1 0 0 0 0
13 30 1 0 0 0 0
5 31 1 0 0 0 0
31 32 1 0 0 0 0
28 33 1 0 0 0 0
20 30 1 0 0 0 0
40 34 1 1 0 0 0
39 34 1 1 0 0 0
38 40 1 1 0 0 0
34 35 1 0 0 0 0
40 36 1 0 0 0 0
41 38 1 0 0 0 0
37 42 1 0 0 0 0
39 41 1 0 0 0 0
34 37 1 0 0 0 0
26 38 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
42 43 1 0 0 0 0
S SKP 5
ID FL1CDAGS0003
FORMULA C37H40O15
EXACTMASS 724.23672061
AVERAGEMASS 724.7044999999999
SMILES C(COC(=O)C=Cc(c5)cccc5)(C4)(C(O)C(O4)OC(C1Oc(c2)ccc(C=CC(c(c3O)c(OC)cc(OC)c3)=O)c2)C(O)C(O)C(CO)O1)O
M END
