Mol:FL5FAAGL0107
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
1.2173 0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9338 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9338 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 2.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3667 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3667 1.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 2.2851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8774 1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 2.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 3.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8774 3.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1629 3.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2292 3.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2173 0.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1831 0.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9116 -0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0740 -0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5200 -0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5247 -1.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3622 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9164 -1.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7640 0.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6249 -1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3604 -2.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9394 -2.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6231 -2.8448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2676 2.0910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6414 -0.0496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5003 -2.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6754 -2.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 -1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3072 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1322 -1.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0930 -2.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4663 -3.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9897 -3.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0550 -1.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6022 -2.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0330 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4791 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1492 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5312 0.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3223 0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7313 -0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3493 -1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5582 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6932 0.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2292 -0.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9512 -1.7057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3514 -1.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9801 -0.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8489 1.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4537 0.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6255 0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1972 1.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0206 1.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7006 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8322 0.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9337 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 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 3 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
7 19 2 0 0 0 0
8 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
20 22 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
30 31 1 0 0 0 0
5 32 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
33 37 1 0 0 0 0
34 40 1 0 0 0 0
35 41 1 0 0 0 0
36 42 1 0 0 0 0
39 43 1 0 0 0 0
44 45 2 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 46 1 0 0 0 0
48 52 1 0 0 0 0
49 53 1 0 0 0 0
43 54 1 0 0 0 0
54 55 1 0 0 0 0
55 44 1 0 0 0 0
55 56 2 0 0 0 0
57 58 1 0 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
61 60 1 1 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
57 63 1 0 0 0 0
58 64 1 0 0 0 0
59 65 1 0 0 0 0
33 60 1 0 0 0 0
61 32 1 0 0 0 0
S SKP 5
ID FL5FAAGL0107
FORMULA C42H46O23
EXACTMASS 918.242987778
AVERAGEMASS 918.8008399999999
SMILES C(O)C(O1)C(O)C(O)C(C1OC(C(=O)3)=C(Oc(c4)c3c(O)cc4OC(O5)C(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(O)c7O)=O)O)O)C(O)C(C5C)O)c(c2)ccc(O)c2)O
M END
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