Mol:FL7AACGL0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
-4.3486 -3.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8424 -3.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1134 -3.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4099 -3.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9211 -3.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5588 -3.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0088 -3.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5664 -3.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4674 -4.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4360 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4360 -1.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0338 -1.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0338 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -0.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3685 -1.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3685 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3327 -0.6551 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.0693 -0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 -1.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 -0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0693 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 -3.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7839 1.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2869 -2.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1369 -0.6552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2128 0.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4662 3.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1407 2.8734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7507 2.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 2.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6858 2.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1306 4.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 3.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8074 1.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4473 -3.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0425 -4.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8209 -4.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6039 -4.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0088 -3.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2303 -3.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 -3.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3768 -1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9721 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7505 -2.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5335 -2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9383 -1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1599 -2.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6206 -1.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6709 -1.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6227 -1.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2770 -2.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7612 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4921 -4.0718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3884 -4.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6039 -4.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0789 -2.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6734 -1.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9013 3.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0098 4.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 1 0 0 0
2 3 1 1 0 0 0
4 3 1 1 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
2 8 1 0 0 0 0
3 9 1 0 0 0 0
10 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 10 2 0 0 0 0
13 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
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
12 26 1 0 0 0 0
24 27 1 0 0 0 0
28 17 1 0 0 0 0
10 29 1 0 0 0 0
23 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 27 1 0 0 0 0
26 4 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 1 0 0 0
42 43 1 1 0 0 0
44 43 1 1 0 0 0
44 45 1 0 0 0 0
45 40 1 0 0 0 0
40 46 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 1 0 0 0
49 50 1 1 0 0 0
51 50 1 1 0 0 0
51 52 1 0 0 0 0
52 47 1 0 0 0 0
47 53 1 0 0 0 0
52 54 1 0 0 0 0
51 55 1 0 0 0 0
50 56 1 0 0 0 0
44 57 1 0 0 0 0
56 57 1 0 0 0 0
41 58 1 0 0 0 0
42 59 1 0 0 0 0
43 60 1 0 0 0 0
48 28 1 0 0 0 0
61 62 1 0 0 0 0
6 61 1 0 0 0 0
63 64 1 0 0 0 0
36 63 1 0 0 0 0
M CHG 1 19 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 61 62
M SBL 1 1 68
M SMT 1 ^ CH2OH
M SBV 1 68 0.5200 -0.5545
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 63 64
M SBL 2 1 70
M SMT 2 CH2OH
M SBV 2 70 -0.2155 -0.7910
S SKP 5
ID FL7AACGL0021
FORMULA C39H51O25
EXACTMASS 919.271942182
AVERAGEMASS 919.80724
SMILES C(C1O)(O)C(Oc(c2)c(O)ccc(c([o+1]3)c(OC(C6O)OC(COC(O7)C(C(C(C(C)7)O)O)O)C(O)C6O)cc(c(OC(O5)C(O)C(O)C(C(CO)5)O)4)c(cc(c4)O)3)2)OC(C1O)CO
M END
