Mol:FL7AAGGA0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
91 99 0 0 0 0 0 0 0 0999 V2000
-2.1110 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1110 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6820 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 2.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0324 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 1.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7469 2.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0324 2.9967 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.5234 3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2378 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 3.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2378 4.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5234 3.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5925 4.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6909 2.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3965 0.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5972 2.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2378 5.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6339 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1060 -0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6541 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4401 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 0.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1520 -0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2996 -0.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6635 -1.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6339 -0.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4264 0.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1103 0.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2957 0.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2078 1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7141 2.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5288 2.0233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6167 1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2692 1.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1103 -0.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6064 0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4659 1.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6359 -0.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3623 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0628 -0.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3522 -1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6396 -1.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6414 -2.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3568 -3.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3587 -3.9409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6451 -4.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 -3.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9279 -3.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6451 -5.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0962 0.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9402 -4.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7461 -2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -2.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4867 -1.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2236 -1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4356 -1.1178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0093 -1.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6186 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2498 -2.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2263 -2.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5869 -2.7929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3821 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7223 -2.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3176 -3.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4636 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7653 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5890 -1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0088 -2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8337 -2.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2390 -1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8193 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9943 -1.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0628 -1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2529 -3.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6533 0.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4667 0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5474 1.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0354 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2219 1.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1411 0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6196 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6382 -0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2184 -0.3471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3189 1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2935 1.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3419 0.3540 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
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
23 31 1 0 0 0 0
28 32 1 0 0 0 0
26 18 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
43 44 1 0 0 0 0
44 45 2 0 0 0 0
44 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 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
43 39 1 0 0 0 0
36 19 1 0 0 0 0
55 32 1 0 0 0 0
50 56 1 0 0 0 0
57 58 1 1 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 57 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
57 65 1 0 0 0 0
58 66 1 0 0 0 0
59 67 1 0 0 0 0
60 29 1 0 0 0 0
68 69 2 0 0 0 0
68 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
72 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 2 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
77 72 1 0 0 0 0
75 78 1 0 0 0 0
74 79 1 0 0 0 0
67 68 1 0 0 0 0
80 81 1 1 0 0 0
81 82 1 1 0 0 0
83 82 1 1 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 80 1 0 0 0 0
85 86 1 0 0 0 0
80 87 1 0 0 0 0
81 88 1 0 0 0 0
82 89 1 0 0 0 0
86 90 2 0 0 0 0
86 91 1 0 0 0 0
83 21 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AAGGA0012
FORMULA C57H61O34
EXACTMASS 1289.3044241
AVERAGEMASS 1290.07384
SMILES c(c76)c(c([o+1]c(cc(OC(C(O)8)OC(COC(C=Cc(c9)cc(c(c9)O)O)=O)C(O)C(O)8)cc7O)6)c(c4)cc(O)c(O)c(OC(O5)C(C(O)C(C5C(=O)O)O)O)4)OC(C(OC(O3)C(C(C(C3CO)O)O)OC(C=Cc(c2)ccc(O)c2O)=O)1)OC(CO)C(O)C1O
M END
