Mol:LBPR02010012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
73 73 0 0 0 0 0 0 0 0999 V2000
-17.9774 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.2651 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-16.5515 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8393 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8393 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-15.1243 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-16.5515 1.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-16.5515 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-12.2643 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-9.0620 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3475 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.4896 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7751 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0607 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3462 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6317 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9172 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2028 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4883 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2262 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9406 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6551 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3696 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0840 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7985 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5130 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2275 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9419 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3709 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0853 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7998 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5143 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.6577 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3722 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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17.3735 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0879 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8024 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6330 1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9406 1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.3722 1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2301 1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.0879 1.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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3 4 1 0 0 0 0
2 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
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3 8 1 0 0 0 0
9 7 1 0 0 0 0
8 10 2 0 0 0 0
5 11 2 0 0 0 0
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36 37 1 0 0 0 0
37 38 2 0 0 0 0
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45 46 2 0 0 0 0
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48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 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
54 55 1 0 0 0 0
55 56 1 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 1 0 0 0 0
60 61 1 0 0 0 0
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26 64 1 0 0 0 0
30 65 1 0 0 0 0
34 66 1 0 0 0 0
38 67 1 0 0 0 0
42 68 1 0 0 0 0
46 69 1 0 0 0 0
50 70 1 0 0 0 0
54 71 1 0 0 0 0
58 72 1 0 0 0 0
62 73 1 0 0 0 0
18 24 1 0 0 0 0
S SKP 5
ID LBPR02010012
FORMULA C69H106O4
EXACTMASS 998.80911188
AVERAGEMASS 999.57754
SMILES C(CC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCc(c1=O)c(c(=O)c(c1OC)OC)C)C)C)C)C)C)C)C)C=C(C)C
M END
