Mol:FL7AAAGL0011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
51 56 0 0 0 0 0 0 0 0999 V2000
-2.1694 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1694 1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7674 1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7674 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 0.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 1.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 2.2173 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.3354 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0499 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7644 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7644 3.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0499 3.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3354 3.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4787 3.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8702 2.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3611 0.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1217 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6019 -0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8534 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1311 -0.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6559 0.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3108 -0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7162 -0.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3077 -0.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3405 -0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1173 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 -1.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 -1.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7237 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1173 -0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3097 -0.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4177 -2.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -1.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 0.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3324 0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8330 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5409 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3170 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8162 0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1083 0.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2811 -0.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8234 0.2808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0338 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8636 0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8234 0.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 -2.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9329 -3.4546 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 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
16 11 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
31 30 1 1 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 1 0 0 0
35 30 1 1 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
34 20 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 1 0 0 0
40 41 1 1 0 0 0
42 41 1 1 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 39 1 0 0 0 0
40 45 1 0 0 0 0
42 46 1 0 0 0 0
41 47 1 0 0 0 0
39 38 1 0 0 0 0
48 49 1 0 0 0 0
26 48 1 0 0 0 0
50 51 1 0 0 0 0
30 50 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 48 49
M SBL 1 1 54
M SMT 1 ^ CH2OH
M SBV 1 54 0.5529 -0.5717
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 50 51
M SBL 2 1 56
M SMT 2 ^ CH2OH
M SBV 2 56 0.0403 0.6548
S SKP 5
ID FL7AAAGL0011
FORMULA C32H39O19
EXACTMASS 727.208554066
AVERAGEMASS 727.64066
SMILES c(c6)(ccc(c6)O)c(c3OC(O5)C(C(O)C(C(CO)5)O)OC(C4O)OCC(O)C(O)4)[o+1]c(c1c3)cc(O)cc(OC(O2)C(C(C(O)C(CO)2)O)O)1
M END
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