Mol:FL5FAAGL0033
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
52 57 0 0 0 0 0 0 0 0999 V2000
-1.2286 2.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2286 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1733 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1733 2.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5752 1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5752 2.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 2.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 0.3392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2759 2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9904 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7048 2.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7048 3.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9904 3.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2759 3.4138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5277 0.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9294 2.5890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4190 3.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0527 0.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6531 -0.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0755 -0.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8071 -1.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6531 -2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3847 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6177 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9323 -1.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3992 0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9566 0.2272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7594 0.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5339 0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9711 1.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2688 0.7400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3572 0.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4063 -0.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9464 0.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1314 2.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4817 2.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5461 2.4359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5654 2.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2994 3.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1179 2.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6362 2.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1838 2.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9056 1.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3557 -3.0283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7447 3.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9464 3.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7681 -2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7083 -3.8264 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
23 21 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
31 36 1 0 0 0 0
32 37 1 0 0 0 0
28 30 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
39 45 1 0 0 0 0
40 46 1 0 0 0 0
41 47 1 0 0 0 0
42 19 1 0 0 0 0
26 48 1 0 0 0 0
49 50 1 0 0 0 0
44 49 1 0 0 0 0
51 52 1 0 0 0 0
25 51 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 49 50
M SBL 1 1 55
M SMT 1 ^ CH2OH
M SBV 1 55 0.6268 -0.6885
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 51 52
M SBL 2 1 57
M SMT 2 ^ CH2OH
M SBV 2 57 0.0390 0.8038
S SKP 5
ID FL5FAAGL0033
FORMULA C32H38O20
EXACTMASS 742.1956436559999
AVERAGEMASS 742.63212
SMILES c(c5O)(c3cc(OC(C(O)6)OC(CO)C(O)C6O)c5)C(=O)C(=C(c(c4)ccc(O)c4)O3)OC(C(OC(O2)C(C(O)C(O)C2)O)1)OC(CO)C(O)C(O)1
M END
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