Mol:FL7AACGL0099
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
101110 0 0 0 0 0 0 0 0999 V2000
-2.2517 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6475 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2517 3.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8559 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8559 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0433 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 2.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4391 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0433 3.4954 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.2001 3.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 3.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 3.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3432 4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 4.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2001 4.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8601 4.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4199 3.4720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2517 1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1451 2.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 4.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9320 1.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3905 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6416 1.3391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8155 1.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3755 1.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1061 1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4445 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0078 1.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1832 0.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5566 0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7275 0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4879 0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1228 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7063 1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4877 -0.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9390 -0.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1861 0.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5867 0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8810 0.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7895 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7342 -0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5177 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0532 -0.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1087 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3252 0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5413 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3890 0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6427 -1.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6125 -0.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 -0.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1396 -0.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1443 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4623 1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1171 1.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4445 2.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1171 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4623 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1349 2.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2021 3.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3663 3.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5253 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9047 0.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7904 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4555 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7932 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4688 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8067 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4688 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7932 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4555 -1.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5108 -2.7308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7307 -2.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0398 -2.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0570 -3.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2618 -3.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 -4.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7708 -3.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4756 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5085 -3.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2541 -4.4982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 -4.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2971 -3.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7366 -3.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 -3.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0944 -4.4776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5892 -3.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0310 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6431 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 -4.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6144 -4.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9381 -3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6144 -3.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9668 -3.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0065 -3.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9932 -4.9696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5791 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0588 2.1383 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
5 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
19 25 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
20 34 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
39 42 1 0 0 0 0
44 48 1 0 0 0 0
43 49 1 0 0 0 0
45 50 1 0 0 0 0
46 51 1 0 0 0 0
51 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
61 63 1 0 0 0 0
60 64 1 0 0 0 0
41 65 1 0 0 0 0
65 66 2 0 0 0 0
65 67 1 0 0 0 0
67 68 2 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
72 73 1 0 0 0 0
73 74 2 0 0 0 0
74 69 1 0 0 0 0
73 75 1 0 0 0 0
72 76 1 0 0 0 0
77 78 1 1 0 0 0
78 79 1 1 0 0 0
80 79 1 1 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 77 1 0 0 0 0
76 77 1 0 0 0 0
78 83 1 0 0 0 0
79 84 1 0 0 0 0
80 85 1 0 0 0 0
81 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
88 90 1 0 0 0 0
90 91 2 0 0 0 0
91 92 1 0 0 0 0
92 93 2 0 0 0 0
93 94 1 0 0 0 0
94 95 2 0 0 0 0
95 96 1 0 0 0 0
96 97 2 0 0 0 0
97 92 1 0 0 0 0
96 98 1 0 0 0 0
94 99 1 0 0 0 0
100101 1 0 0 0 0
27100 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 100 101
M SBL 1 1 110
M SMT 1 ^ CH2OH
M SBV 1 110 0.4730 -0.4350
S SKP 5
ID FL7AACGL0099
FORMULA C66H69O35
EXACTMASS 1421.3619389780001
AVERAGEMASS 1422.23306
SMILES Oc(c1)c(ccc1c(c(OC(O7)C(C(O)C(O)C7COC(=O)C=Cc(c%10)cc(O)c(c%10)OC(O8)C(O)C(C(C8COC(=O)C=Cc(c9)cc(O)cc(O)9)O)O)OC(O5)C(O)C(C(O)C(COC(=O)C=Cc(c6)ccc(O)c(O)6)5)O)2)[o+1]c(c3)c(c(OC(O4)C(C(O)C(C4CO)O)O)cc3O)c2)O
M END
