Mol:FL5FAAGA0047
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-3.2290 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2290 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5145 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7999 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5145 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0853 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3708 0.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3708 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0853 1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0826 -0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2573 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9853 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9853 2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2573 2.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 2.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5145 -0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7649 2.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8899 1.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4377 -0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0730 -1.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 -0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5879 -1.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0730 -2.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8476 -2.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9940 -0.5033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0214 -2.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4255 -3.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3884 -3.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 -3.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9278 -3.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 -2.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3884 -1.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1216 -1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7137 -1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8005 -2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9981 -3.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0712 -3.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3674 -2.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7415 -2.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5384 -2.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7388 -1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5540 -0.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5540 -0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2723 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2723 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5540 1.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8356 0.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5540 2.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2564 1.7981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5818 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7959 2.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5818 2.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2564 3.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0424 2.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0310 3.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5818 3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6684 2.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9074 1.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9897 1.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9074 1.1183 0.0000 C 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
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
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 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
26 29 1 0 0 0 0
25 30 1 0 0 0 0
23 21 1 0 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 1 0 0 0
36 31 1 1 0 0 0
35 37 1 0 0 0 0
34 38 1 0 0 0 0
36 39 1 0 0 0 0
31 40 1 0 0 0 0
32 41 1 0 0 0 0
41 30 1 0 0 0 0
27 42 1 0 0 0 0
29 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
55 54 1 1 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 1 0 0 0
59 54 1 1 0 0 0
58 60 1 0 0 0 0
57 61 1 0 0 0 0
59 62 1 0 0 0 0
54 63 1 0 0 0 0
55 20 1 0 0 0 0
64 65 1 0 0 0 0
49 64 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 64 65
M SBL 1 1 71
M SMT 1 OCH3
M SBV 1 71 -0.7174 -0.4142
S SKP 5
ID FL5FAAGA0047
FORMULA C43H48O22
EXACTMASS 916.26372322
AVERAGEMASS 916.82802
SMILES C(C(O)1)(C(O)C(C)OC(OCC(O2)C(OC(C=Cc(c7)cc(OC)c(O)c7)=O)C(O)C(O)C2OC(=C5c(c6)ccc(c6)O)C(c(c4O)c(O5)cc(c4)OC(C(O)3)OC(C)C(O)C(O)3)=O)1)O
M END
