Mol:LBPR01070192
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
69 70 0 0 0 0 0 0 0 0999 V2000
-8.2994 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5761 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8527 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1294 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4061 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6827 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9594 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2361 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5128 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3428 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3805 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1039 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8301 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2768 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0001 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7234 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4467 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1294 3.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2361 3.3044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3805 1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2768 1.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0169 2.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7344 2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7344 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0169 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2994 1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1643 2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8760 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5848 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7315 2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3023 2.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1643 1.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5906 2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3052 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0198 2.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7344 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7344 1.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -0.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.6603 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5869 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6603 -3.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5869 -2.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 -1.6544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0198 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0169 -0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3052 3.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2579 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5435 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8290 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1145 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4000 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6856 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9711 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2566 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4578 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8868 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3157 -0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0302 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7447 -0.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5435 1.0705 0.0000 C 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 7 2 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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
4 21 1 0 0 0 0
8 22 1 0 0 0 0
13 23 1 0 0 0 0
17 24 1 0 0 0 0
25 1 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 1 2 0 0 0 0
30 20 2 0 0 0 0
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29 32 1 0 0 0 0
25 33 1 1 0 0 0
25 34 1 6 0 0 0
30 35 1 0 0 0 0
31 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
38 40 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
41 46 1 0 0 0 0
45 46 1 0 0 0 0
41 47 1 0 0 0 0
44 48 1 0 0 0 0
49 46 1 0 0 0 0
45 50 1 0 0 0 0
38 51 1 0 0 0 0
28 52 2 0 0 0 0
37 53 1 6 0 0 0
51 43 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
55 69 1 0 0 0 0
68 47 1 0 0 0 0
S SKP 5
ID LBPR01070192
FORMULA C61H94O8
EXACTMASS 954.694869984
AVERAGEMASS 955.3942599999999
SMILES C(C(=O)1)(C)=C(C=CC(=CC=CC(C)=CC=CC=C(C=CC=C(C=CC=C(C)C=CC(C(C)(C)OC(C2O)OC(C(C(O)2)O)COCCCCCCCCCCCCC(C)C)O)C)C)C)C(CC1)(C)C
M END
