Mol:FL2FALNR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 36 0 0 0 0 0 0 0 0999 V2000 | + | 31 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4795 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4795 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9587 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9587 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4378 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4378 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4378 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4378 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9587 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9587 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4795 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4795 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9587 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9587 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9999 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9999 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9169 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9169 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3960 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3960 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3960 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3960 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9169 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9169 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1244 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1244 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9169 -1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9169 -1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6587 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6587 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1931 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6587 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6587 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1244 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1244 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7274 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7274 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2618 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2618 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2618 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2618 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7274 1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7274 1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4091 1.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4091 1.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0360 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0360 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5703 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5703 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9999 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9999 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9999 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9999 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5986 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5986 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4784 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4784 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4543 1.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4543 1.5310 0.0000 C 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 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 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 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 0 0 0 0 |
| − | 13 15 2 0 0 0 0 | + | 13 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 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 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 26 1 0 0 0 0 | + | 28 26 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNR0001 | + | ID FL2FALNR0001 |
| − | KNApSAcK_ID C00008380 | + | KNApSAcK_ID C00008380 |
| − | NAME Kuwanon D | + | NAME Kuwanon D |
| − | CAS_RN 67172-84-3 | + | CAS_RN 67172-84-3 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c61)c(cc(c1C(=O)CC(O6)c(c5O)cc(c(c5)2)C(C(C)(C)4)C(C43)C(CC3)(C)O2)O)O | + | SMILES c(c61)c(cc(c1C(=O)CC(O6)c(c5O)cc(c(c5)2)C(C(C)(C)4)C(C43)C(CC3)(C)O2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 36 0 0 0 0 0 0 0 0999 V2000
-2.4795 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4795 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9587 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9999 0.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 -0.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3960 -0.1049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 -1.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1931 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 1.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1244 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 -0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 0.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2618 0.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7274 1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 1.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 -0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5703 -0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9999 0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9999 -0.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5986 -0.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4784 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4543 1.5310 0.0000 C 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
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 0 0 0 0
9 14 2 0 0 0 0
13 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 13 1 0 0 0 0
16 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
19 24 1 0 0 0 0
20 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
27 28 1 0 0 0 0
28 26 1 0 0 0 0
25 29 1 0 0 0 0
25 30 1 0 0 0 0
22 31 1 0 0 0 0
S SKP 8
ID FL2FALNR0001
KNApSAcK_ID C00008380
NAME Kuwanon D
CAS_RN 67172-84-3
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c61)c(cc(c1C(=O)CC(O6)c(c5O)cc(c(c5)2)C(C(C)(C)4)C(C43)C(CC3)(C)O2)O)O
M END
