Mol:FL2FAANI0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5831 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5831 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0622 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0622 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5414 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5414 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5414 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5414 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0622 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0622 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5831 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5831 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0205 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0205 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5004 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5004 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5004 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5004 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0205 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0205 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0208 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0208 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0205 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0205 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5551 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5551 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0895 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0895 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0895 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0895 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5551 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5551 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0208 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0208 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0622 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0622 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.5831 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5831 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1040 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1040 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.6239 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6239 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.1040 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1040 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1035 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1035 -0.6467 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 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 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0018 | + | ID FL2FAANI0018 |
| − | KNApSAcK_ID C00008522 | + | KNApSAcK_ID C00008522 |
| − | NAME Leachianone E | + | NAME Leachianone E |
| − | CAS_RN 139542-47-5 | + | CAS_RN 139542-47-5 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c(O)3)c(O)c(c2c3CC(C(C)=C)CC=C(C)C)C(=O)CC(O2)c(c1)ccc(c1)O | + | SMILES c(c(O)3)c(O)c(c2c3CC(C(C)=C)CC=C(C)C)C(=O)CC(O2)c(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/
30 32 0 0 0 0 0 0 0 0999 V2000
-1.5831 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5414 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5831 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0205 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5004 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5004 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0205 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0208 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0205 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0895 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0895 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0208 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0622 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5831 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6239 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5774 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5831 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1035 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1035 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6239 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5831 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1040 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
21 23 2 0 0 0 0
20 24 1 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
26 28 1 0 0 0 0
21 29 1 0 0 0 0
6 30 1 0 0 0 0
S SKP 8
ID FL2FAANI0018
KNApSAcK_ID C00008522
NAME Leachianone E
CAS_RN 139542-47-5
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c(O)3)c(O)c(c2c3CC(C(C)=C)CC=C(C)C)C(=O)CC(O2)c(c1)ccc(c1)O
M END
