Mol:FL7AACGL0088
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
74 81 0 0 0 0 0 0 0 0999 V2000
-1.9976 3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9976 2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5717 2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5717 3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 2.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1420 3.6583 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.5692 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 3.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9978 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9978 4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 4.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5692 4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7126 3.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5692 2.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8176 1.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1269 -0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7175 0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8022 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7702 0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0145 -0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1761 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0728 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4520 0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 -1.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0832 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2841 5.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7127 4.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2730 1.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7361 0.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4315 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3457 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2949 0.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3225 -0.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3787 0.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8219 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8913 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8436 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0749 -1.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6579 -1.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6579 -2.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3729 -3.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3729 -3.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6579 -4.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 -3.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 -3.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6579 -5.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3787 -4.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9667 -4.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5036 -5.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8081 -4.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8940 -4.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9643 -5.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9395 -5.7193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2883 -4.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4177 -5.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3472 -5.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0918 -3.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2840 1.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0282 1.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6573 1.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1942 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4987 1.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5846 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6962 1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6285 0.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9996 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1084 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0379 1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6586 2.6959 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
1 6 1 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
5 10 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
11 16 1 0 0 0 0
1 17 1 0 0 0 0
8 18 1 0 0 0 0
19 20 1 0 0 0 0
20 26 1 1 0 0 0
21 27 1 1 0 0 0
21 22 1 0 0 0 0
19 22 1 0 0 0 0
23 27 1 0 0 0 0
24 26 1 0 0 0 0
22 25 1 0 0 0 0
26 27 1 1 0 0 0
25 28 1 0 0 0 0
18 20 1 0 0 0 0
21 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
14 32 1 0 0 0 0
33 34 1 0 0 0 0
34 40 1 1 0 0 0
35 41 1 1 0 0 0
35 36 1 0 0 0 0
33 36 1 0 0 0 0
37 41 1 0 0 0 0
38 40 1 0 0 0 0
34 39 1 0 0 0 0
40 41 1 1 0 0 0
24 35 1 0 0 0 0
30 42 2 0 0 0 0
30 43 1 0 0 0 0
43 44 2 0 0 0 0
44 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
45 50 1 0 0 0 0
48 51 1 0 0 0 0
53 54 1 0 0 0 0
54 60 1 1 0 0 0
55 61 1 1 0 0 0
55 56 1 0 0 0 0
53 56 1 0 0 0 0
52 55 1 0 0 0 0
57 61 1 0 0 0 0
58 60 1 0 0 0 0
56 59 1 0 0 0 0
60 61 1 1 0 0 0
59 62 1 0 0 0 0
51 54 1 0 0 0 0
3 63 1 0 0 0 0
65 66 1 0 0 0 0
66 72 1 1 0 0 0
67 73 1 1 0 0 0
67 68 1 0 0 0 0
65 68 1 0 0 0 0
64 67 1 0 0 0 0
69 73 1 0 0 0 0
70 72 1 0 0 0 0
68 71 1 0 0 0 0
72 73 1 1 0 0 0
71 74 1 0 0 0 0
63 66 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0088
FORMULA C47H55O27
EXACTMASS 1051.2930715539999
AVERAGEMASS 1051.9234
SMILES c(c23)(cc(OC(O6)C(C(C(O)C6COC(C=Cc(c7)ccc(OC(O8)C(O)C(O)C(O)C8CO)c7)=O)O)OC(O5)C(O)C(O)C(C5)O)c(c(c4)ccc(O)c4O)[o+1]3)c(cc(c2)O)OC(O1)C(C(O)C(C1CO)O)O
M END
