Mol:FL4DAANC0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 37 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8988 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1430 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1430 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1430 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1430 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8988 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8988 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1848 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1848 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1848 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1848 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 0.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 0.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6639 -1.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6639 -1.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8127 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8127 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2908 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2908 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7208 -1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7208 -1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3342 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3342 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4055 0.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4055 0.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4191 -1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4191 -1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9395 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9395 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9395 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9395 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4047 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4047 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4047 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4047 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3342 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3342 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3779 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3779 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1425 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1425 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6403 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6403 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1382 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1382 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1382 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1382 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6403 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6403 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1425 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1425 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6359 1.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6359 1.7836 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANC0003 | + | ID FL4DAANC0003 |
| − | KNApSAcK_ID C00008658 | + | KNApSAcK_ID C00008658 |
| − | NAME Gericudranin D | + | NAME Gericudranin D |
| − | CAS_RN 172104-06-2 | + | CAS_RN 172104-06-2 |
| − | FORMULA C29H24O8 | + | FORMULA C29H24O8 |
| − | EXACTMASS 500.14711774399996 | + | EXACTMASS 500.14711774399996 |
| − | AVERAGEMASS 500.49606 | + | AVERAGEMASS 500.49606 |
| − | SMILES c(c4O)(c(c(c(c(Cc(c5)ccc(c5)O)4)2)C(=O)C(C(c(c3)ccc(c3)O)O2)O)O)Cc(c1)ccc(c1)O | + | SMILES c(c4O)(c(c(c(c(Cc(c5)ccc(c5)O)4)2)C(=O)C(C(c(c3)ccc(c3)O)O2)O)O)Cc(c1)ccc(c1)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/
37 41 0 0 0 0 0 0 0 0999 V2000
-0.8988 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1430 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8988 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1848 -0.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 0.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6639 -1.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 -0.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8127 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 -1.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3342 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4055 0.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -0.0764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 -0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3342 -0.0769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 0.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1425 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6403 0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 0.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6403 1.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1425 1.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6359 1.7836 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
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
8 19 1 1 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
26 29 1 0 0 0 0
5 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 31 1 0 0 0 0
34 37 1 0 0 0 0
S SKP 8
ID FL4DAANC0003
KNApSAcK_ID C00008658
NAME Gericudranin D
CAS_RN 172104-06-2
FORMULA C29H24O8
EXACTMASS 500.14711774399996
AVERAGEMASS 500.49606
SMILES c(c4O)(c(c(c(c(Cc(c5)ccc(c5)O)4)2)C(=O)C(C(c(c3)ccc(c3)O)O2)O)O)Cc(c1)ccc(c1)O
M END
