Mol:FLIDHXNF0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 33 0 0 0 0 0 0 0 0999 V2000 | + | 28 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5380 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5380 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5380 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5380 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9817 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9817 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4254 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4254 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4254 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4254 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9817 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9817 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1309 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1309 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6872 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6872 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6872 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6872 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1309 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1309 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2433 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2433 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2433 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2433 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8381 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8381 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4328 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4328 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4328 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4328 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8381 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8381 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1326 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1326 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2433 0.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2433 0.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0860 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0860 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4897 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4897 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0860 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0860 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1490 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1490 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5265 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5265 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1490 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1490 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1687 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1687 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4897 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4897 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4897 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4897 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1687 -0.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1687 -0.5972 0.0000 O 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 2 0 0 0 0 | + | 25 27 2 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNF0007 | + | ID FLIDHXNF0007 |
| − | KNApSAcK_ID C00010023 | + | KNApSAcK_ID C00010023 |
| − | NAME Hildecarpidin | + | NAME Hildecarpidin |
| − | CAS_RN 111010-27-6 | + | CAS_RN 111010-27-6 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES c(c23)c(c1cc2OCC(O)(c45)C3Oc4cc(O6)c(OC6)c5)CC(C(=C)CO)O1 | + | SMILES c(c23)c(c1cc2OCC(O)(c45)C3Oc4cc(O6)c(OC6)c5)CC(C(=C)CO)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 33 0 0 0 0 0 0 0 0999 V2000
-1.5380 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5380 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9817 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4254 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4254 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9817 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1309 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6872 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6872 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1309 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8381 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4328 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4328 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8381 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1326 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 0.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0860 -1.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4897 -0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0860 0.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5265 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1490 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1687 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4897 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4897 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1687 -0.5972 0.0000 O 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 1 0 0 0 0
12 17 1 0 0 0 0
8 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 2 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
26 28 1 0 0 0 0
S SKP 8
ID FLIDHXNF0007
KNApSAcK_ID C00010023
NAME Hildecarpidin
CAS_RN 111010-27-6
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES c(c23)c(c1cc2OCC(O)(c45)C3Oc4cc(O6)c(OC6)c5)CC(C(=C)CO)O1
M END
