Mol:FL3FALNP0006
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2703 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2703 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2703 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2703 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7140 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7140 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7140 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7140 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6014 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6014 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0451 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0451 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0451 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0451 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6014 -0.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6014 -0.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6014 -1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6014 -1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5110 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5110 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0779 -0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 -0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6449 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6449 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6449 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6449 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0779 0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5110 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5110 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7140 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7140 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8264 -0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8264 -0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5110 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5110 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0671 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0671 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6192 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6192 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6137 -2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6137 -2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1768 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1768 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0558 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0558 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1968 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1968 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1968 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1968 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6449 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6449 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0709 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0709 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5968 2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5968 2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8264 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8264 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 17 25 1 0 0 0 0 | + | 17 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 16 1 0 0 0 0 | + | 29 16 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0006 | + | ID FL3FALNP0006 |
| − | KNApSAcK_ID C00004056 | + | KNApSAcK_ID C00004056 |
| − | NAME Kuwanon B | + | NAME Kuwanon B |
| − | CAS_RN 62949-78-4 | + | CAS_RN 62949-78-4 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES c(c4)(c(c3cc4O)C(=O)C(=C(O3)c(c2)c(c(C=1)c(c2)OC(C)(C)C1)O)CC=C(C)C)O | + | SMILES c(c4)(c(c3cc4O)C(=O)C(=C(O3)c(c2)c(c(C=1)c(c2)OC(C)(C)C1)O)CC=C(C)C)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.2703 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2703 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0451 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0451 -0.5081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 -0.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 -1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 -0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6449 -0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6449 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.7949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 0.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7140 -2.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8264 -0.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5110 -1.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0671 -1.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6137 -2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1768 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0558 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 0.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1968 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6449 1.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0709 1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5968 2.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8264 1.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
17 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 16 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
S SKP 8
ID FL3FALNP0006
KNApSAcK_ID C00004056
NAME Kuwanon B
CAS_RN 62949-78-4
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES c(c4)(c(c3cc4O)C(=O)C(=C(O3)c(c2)c(c(C=1)c(c2)OC(C)(C)C1)O)CC=C(C)C)O
M END
