Mol:FL3FAADS0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
0.7034 0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7255 0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7255 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7034 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4400 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1544 0.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1544 -0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4400 -0.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8255 0.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4400 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0110 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9203 -0.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3368 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6197 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7946 -0.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3781 -0.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0951 -0.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4635 -0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1900 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4312 -0.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9617 -1.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0610 -1.0384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1996 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5292 2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1148 -1.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5315 -2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8147 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9898 -1.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5731 -1.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2899 -1.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1148 -1.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3201 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2792 -2.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6603 2.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1325 1.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 1.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3815 1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9093 1.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2219 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1135 2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7481 1.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3201 1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9547 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4899 -0.7436 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
14 15 1 1 0 0 0
15 16 1 1 0 0 0
17 16 1 1 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
16 24 1 0 0 0 0
9 17 1 0 0 0 0
1 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
28 31 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
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 40 1 0 0 0 0
35 24 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 41 1 0 0 0 0
41 47 1 0 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
31 42 1 0 0 0 0
50 51 1 0 0 0 0
44 50 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 50 51
M SBL 1 1 56
M SMT 1 CH2OH
M SBV 1 56 -0.5733 0.7429
S SKP 5
ID FL3FAADS0037
FORMULA C32H38O19
EXACTMASS 726.200729034
AVERAGEMASS 726.6327200000001
SMILES C(C(C(O)1)OC(Oc(c6)ccc(c6)C(O2)=CC(=O)c(c(O)3)c(cc(O)c3C(C(OC(C(O)5)OCC(C5O)O)4)OC(C(C4O)O)CO)2)C(O)C1O)O
M END
