Mol:FL5FAAGI0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
58 63 0 0 0 0 0 0 0 0999 V2000
-1.7829 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7829 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3066 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3066 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 -0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1696 0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1696 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 1.5864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0505 -0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6597 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6597 2.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9074 2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5207 1.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1641 2.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6926 -0.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 -0.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 2.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7826 2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7826 3.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 4.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5204 4.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9826 1.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4901 1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7809 1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0966 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5939 1.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2144 1.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5797 1.4489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0981 1.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0639 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5929 -1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9815 -2.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7778 -2.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4283 -2.8771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0399 -2.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2436 -2.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9112 -1.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9044 -1.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5797 -2.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9827 -1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9827 -1.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4548 -1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1169 -1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1170 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6448 -1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3409 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5250 -2.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4932 -1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4486 -1.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2673 -3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8929 -4.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7193 2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0937 3.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
8 20 1 0 0 0 0
3 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
27 33 1 0 0 0 0
28 34 1 0 0 0 0
29 35 1 0 0 0 0
30 18 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 1 0 0 0
38 39 1 1 0 0 0
40 39 1 1 0 0 0
40 41 1 0 0 0 0
41 36 1 0 0 0 0
36 42 1 0 0 0 0
41 43 1 0 0 0 0
40 44 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
49 50 1 0 0 0 0
50 45 1 0 0 0 0
47 51 1 0 0 0 0
46 52 1 0 0 0 0
45 53 1 0 0 0 0
48 54 1 0 0 0 0
49 20 1 0 0 0 0
37 54 1 0 0 0 0
55 56 1 0 0 0 0
39 55 1 0 0 0 0
57 58 1 0 0 0 0
32 57 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 55 56
M SBL 1 1 61
M SMT 1 CH2OH
M SBV 1 61 -0.8390 0.2366
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 57 58
M SBL 2 1 63
M SMT 2 ^ CH2OH
M SBV 2 63 0.5049 -0.5533
S SKP 5
ID FL5FAAGI0011
FORMULA C38H48O20
EXACTMASS 824.273893976
AVERAGEMASS 824.7757200000001
SMILES c(c1OC(C6O)OC(C(C6O)O)CO)(c(O2)c(C(=O)C(OC(O5)C(C(C(C5C)O)O)OC(O4)C(O)C(C(O)C4CO)O)=C(c(c3)ccc(c3)O)2)c(c1)O)CC=C(C)C
M END
