Mol:FL5FAAGS0130
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 64 70 0 0 0 0 0 0 0 0999 V2000 | + | 64 70 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.4015 4.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4015 4.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.2588 -3.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2588 -3.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6747 -4.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6747 -4.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.2133 -3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2133 -3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0383 -3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0383 -3.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4508 -4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4508 -4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0383 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0383 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2133 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2133 -4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2747 -4.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2747 -4.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
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| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
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| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
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| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
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| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 36 39 1 0 0 0 0 | + | 36 39 1 0 0 0 0 |
| − | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 33 42 1 0 0 0 0 | + | 33 42 1 0 0 0 0 |
| − | 37 19 1 0 0 0 0 | + | 37 19 1 0 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 46 45 1 1 0 0 0 | + | 46 45 1 1 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 43 1 0 0 0 0 | + | 48 43 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 44 51 1 0 0 0 0 | + | 44 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 46 39 1 0 0 0 0 | + | 46 39 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 2 0 0 0 0 | + | 54 55 2 0 0 0 0 |
| − | 54 56 1 0 0 0 0 | + | 54 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 58 1 0 0 0 0 | + | 63 58 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | 53 43 1 0 0 0 0 | + | 53 43 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FAAGS0130 | + | ID FL5FAAGS0130 |
| − | FORMULA C42H46O22 | + | FORMULA C42H46O22 |
| − | EXACTMASS 902.248073156 | + | EXACTMASS 902.248073156 |
| − | AVERAGEMASS 902.80144 | + | AVERAGEMASS 902.80144 |
| − | SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O | + | SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
64 70 0 0 0 0 0 0 0 0999 V2000
2.7917 4.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7917 3.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5060 3.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2205 3.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2205 4.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5060 4.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0772 3.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3627 3.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6483 3.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6483 2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3627 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0772 2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0661 3.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 3.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7806 2.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0661 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3627 1.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4951 3.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7548 2.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8212 4.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.8055 0.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3552 0.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1680 0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2450 1.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6183 0.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4171 -0.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0948 -0.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2524 -0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 0.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7655 -2.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5907 -2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8039 -1.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3936 -0.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5684 -0.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3550 -1.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7697 -1.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4167 -2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2288 -2.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6066 -1.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.2588 -3.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6747 -4.2438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0230 -4.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11 12 1 0 0 0 0
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13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 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
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27 22 1 0 0 0 0
27 28 1 0 0 0 0
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25 18 1 0 0 0 0
33 34 1 0 0 0 0
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56 57 2 0 0 0 0
57 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 58 1 0 0 0 0
61 64 1 0 0 0 0
53 43 1 0 0 0 0
S SKP 5
ID FL5FAAGS0130
FORMULA C42H46O22
EXACTMASS 902.248073156
AVERAGEMASS 902.80144
SMILES C(O3)(c(c7)ccc(c7)O)=C(OC(C(OC(C(O)5)OC(C(OC(=O)C=Cc(c6)ccc(O)c6)C5O)CO)4)OC(C(O)C4O)C)C(c(c23)c(O)cc(c2)OC(O1)C(O)C(O)C(C1CO)O)=O
M END
