Mol:FL5FAAGS0068
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-0.1345 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1345 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5336 -0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2016 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2016 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5336 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8697 -0.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 -0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8697 1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8697 -1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3791 1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0600 0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7408 1.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7408 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0600 2.3570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3791 1.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5336 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4696 2.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8225 1.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3663 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0563 -2.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7708 -2.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5440 -1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7708 -0.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0563 -0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2829 -1.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1591 -1.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1174 -2.8690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5984 -3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0651 -2.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2524 1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5515 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7739 1.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5515 2.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2524 2.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0301 1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9276 3.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5515 2.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6783 2.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8842 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5169 1.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3766 2.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0307 1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8411 1.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9814 1.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3273 1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4696 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4578 1.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5469 0.9171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8408 2.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0992 0.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7213 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1479 -0.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1453 -0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8047 -0.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0871 -0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7212 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9892 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6233 -0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9892 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7212 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8930 -0.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5634 -1.9271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6101 -2.4776 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
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 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 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
20 33 1 0 0 0 0
43 42 1 1 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 1 0 0 0
47 42 1 1 0 0 0
46 48 1 0 0 0 0
45 49 1 0 0 0 0
47 50 1 0 0 0 0
44 51 1 0 0 0 0
43 40 1 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 2 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
64 65 1 0 0 0 0
59 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 -0.4258 0.6427
S SKP 5
ID FL5FAAGS0068
FORMULA C43H48O22
EXACTMASS 916.26372322
AVERAGEMASS 916.82802
SMILES c(c4)(c3c(O)cc4OC(O5)C(O)C(OC(O6)C(O)C(O)C(C6COC(=O)C=Cc(c7)ccc(c7OC)O)O)C(C5C)O)OC(=C(C3=O)OC(C(O)2)OC(C(O)C(O)2)C)c(c1)ccc(O)c1
M END
