Mol:FL7AACGL0085
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
-2.3803 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3803 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6667 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9544 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6667 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2409 -0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 0.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4713 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2409 1.5310 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.1861 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6147 2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 2.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1861 2.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0951 1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1861 -0.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3767 -1.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3226 -0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3140 -2.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2766 -2.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -3.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5574 -1.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3729 -2.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 -1.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6319 -2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8802 -1.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3360 -3.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9011 3.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3295 2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2443 -0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7073 -1.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4030 -0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3171 -1.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 -1.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1700 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4324 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7934 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8628 -1.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6667 -0.9452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4324 -0.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0193 -0.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5562 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8604 -0.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9465 -0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0167 -1.1242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9903 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5057 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4702 -1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3996 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1950 0.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5592 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3842 1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1469 2.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5592 2.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1469 3.5288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3842 2.8138 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
1 6 1 0 0 0 0
4 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
5 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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
11 16 1 0 0 0 0
1 17 1 0 0 0 0
8 18 1 0 0 0 0
19 20 1 0 0 0 0
20 26 1 1 0 0 0
21 27 1 1 0 0 0
21 22 1 0 0 0 0
19 22 1 0 0 0 0
23 27 1 0 0 0 0
24 26 1 0 0 0 0
22 25 1 0 0 0 0
26 27 1 1 0 0 0
25 28 1 0 0 0 0
18 20 1 0 0 0 0
21 29 1 0 0 0 0
15 30 1 0 0 0 0
14 31 1 0 0 0 0
32 33 1 0 0 0 0
33 39 1 1 0 0 0
34 40 1 1 0 0 0
34 35 1 0 0 0 0
32 35 1 0 0 0 0
36 40 1 0 0 0 0
37 39 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 1 0 0 0
24 34 1 0 0 0 0
3 41 1 0 0 0 0
43 44 1 0 0 0 0
44 50 1 1 0 0 0
45 51 1 1 0 0 0
45 46 1 0 0 0 0
43 46 1 0 0 0 0
42 45 1 0 0 0 0
47 51 1 0 0 0 0
48 50 1 0 0 0 0
46 49 1 0 0 0 0
50 51 1 1 0 0 0
49 52 1 0 0 0 0
41 44 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
56 58 2 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0085
FORMULA C35H41O23
EXACTMASS 829.203862618
AVERAGEMASS 829.68624
SMILES C(C(CO)1)(C(O)C(OC(O6)C(C(C(O)C6)O)O)C(Oc(c(c(c5)ccc(c(O)5)O)2)cc(c3OC(O4)C(O)C(O)C(C4COC(CC(O)=O)=O)O)c(cc(c3)O)[o+1]2)O1)O
M END
