Mol:FL7AAHGL0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
-0.5108 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5108 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2036 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9181 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9181 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2036 2.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6326 0.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3470 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3470 1.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6326 2.3949 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.1236 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8380 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5525 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5525 3.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8380 3.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1236 3.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1927 3.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0908 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2036 -0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9972 0.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8380 4.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2443 2.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9764 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4899 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0773 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2789 -0.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4854 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8980 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6964 0.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0789 0.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7429 0.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1161 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 -0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7890 -0.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7765 -1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7112 -0.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2275 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4088 -0.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2926 -1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5521 -0.5263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3670 -2.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7280 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2382 -1.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0125 -2.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2904 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4496 -3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2725 -3.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5505 -2.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8104 -3.0468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9864 -3.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6556 -3.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0252 -4.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 -4.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0309 -2.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2667 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 -3.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5025 -3.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9150 -2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7400 -2.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1525 -3.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7400 -4.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9150 -4.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9764 -3.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1519 -2.2676 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 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
3 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 1 0 0 0
25 26 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 34 1 0 0 0 0
27 19 1 0 0 0 0
35 36 1 1 0 0 0
36 37 1 1 0 0 0
38 37 1 1 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 35 1 0 0 0 0
37 41 1 0 0 0 0
35 42 1 0 0 0 0
36 43 1 0 0 0 0
40 44 1 0 0 0 0
44 45 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 1 0 0 0
49 48 1 1 0 0 0
50 49 1 1 0 0 0
50 51 1 0 0 0 0
51 46 1 0 0 0 0
47 52 1 0 0 0 0
46 53 1 0 0 0 0
48 54 1 0 0 0 0
49 55 1 0 0 0 0
45 50 1 0 0 0 0
38 20 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 2 0 0 0 0
59 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 60 1 0 0 0 0
63 66 1 0 0 0 0
62 67 1 0 0 0 0
52 56 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAHGL0018
FORMULA C43H49O24
EXACTMASS 949.261377496
AVERAGEMASS 949.83476
SMILES c(O)(c7)c(O)cc(c7)C=CC(OC(C6O)C(OC(C6O)OCC(O1)C(C(C(O)C1Oc(c2)c(c(c5)cc(OC)c(c5O)O)[o+1]c(c4)c2c(cc4O)OC(O3)C(C(C(O)C(CO)3)O)O)O)O)C)=O
M END
