Mol:FL3FAACS0068
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 42 0 0 0 0 0 0 0 0999 V2000 | + | 38 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0532 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0532 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0532 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0532 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7676 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7676 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4821 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4821 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4821 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4821 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7676 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7676 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2995 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2995 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5851 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5851 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1294 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1294 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1294 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1294 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5851 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5851 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2995 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2995 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8438 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8438 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5583 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5583 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5583 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5583 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8438 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8438 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2293 0.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2293 0.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8438 -1.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8438 -1.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5851 -1.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5851 -1.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0849 1.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0849 1.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5899 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5899 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5038 -2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5038 -2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9950 -1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9950 -1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2261 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2261 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3121 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3121 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8210 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8210 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0849 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0849 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9949 -2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9949 -2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9400 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9400 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2507 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2507 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5784 1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5784 1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8163 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8163 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9993 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9993 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6714 2.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6714 2.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4337 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4337 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4852 2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4852 2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9820 1.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9820 1.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1290 0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1290 0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 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 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 30 36 1 0 0 0 0 | + | 30 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 24 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 33 13 1 0 0 0 0 | + | 33 13 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FAACS0068 | + | ID FL3FAACS0068 |
| − | FORMULA C25H26O13 | + | FORMULA C25H26O13 |
| − | EXACTMASS 534.137340918 | + | EXACTMASS 534.137340918 |
| − | AVERAGEMASS 534.46614 | + | AVERAGEMASS 534.46614 |
| − | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O | + | SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 42 0 0 0 0 0 0 0 0999 V2000
2.0532 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0532 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7676 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4821 0.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4821 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7676 1.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2995 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5851 0.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1294 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1294 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5851 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2995 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8438 0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5583 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5583 -0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8438 -1.2390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2293 0.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8438 -1.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5851 -1.8111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0849 1.6066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5899 -1.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5038 -2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9950 -1.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2261 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3121 -0.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8210 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0849 -1.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9949 -2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9400 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2507 1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5784 1.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8163 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9993 1.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6714 2.0196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4337 1.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4852 2.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9820 1.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1290 0.8366 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
5 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
30 36 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
24 15 1 0 0 0 0
33 13 1 0 0 0 0
S SKP 5
ID FL3FAACS0068
FORMULA C25H26O13
EXACTMASS 534.137340918
AVERAGEMASS 534.46614
SMILES C(O1)C(C(C(C1c(c4O)c(O2)c(c(c4C(C(O)5)OCC(C5O)O)O)C(C=C(c(c3)ccc(c3)O)2)=O)O)O)O
M END
