Mol:FLIAAANP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7270 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7270 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6144 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6144 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6144 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6144 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4982 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4982 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0543 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0543 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0543 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0543 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6491 -1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6491 -1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2439 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2439 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2439 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2439 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6491 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6491 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0581 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0581 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8381 -1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8381 -1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1707 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7270 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7270 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2833 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2833 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2833 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2833 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5814 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5814 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8381 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8381 1.0717 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 |
| − | 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0003 | + | ID FLIAAANP0003 |
| − | KNApSAcK_ID C00009493 | + | KNApSAcK_ID C00009493 |
| − | NAME Derrone | + | NAME Derrone |
| − | CAS_RN 76166-59-1 | + | CAS_RN 76166-59-1 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(c14)(OC=C(C4=O)c(c3)ccc(O)c3)c(C=2)c(OC(C2)(C)C)cc1O | + | SMILES c(c14)(OC=C(C4=O)c(c3)ccc(O)c3)c(C=2)c(OC(C2)(C)C)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.7270 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6144 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 0.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -0.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4982 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0543 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 -1.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 -0.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6491 -0.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0581 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 -1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8381 -1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1707 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7270 1.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 1.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2833 0.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 1.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 1.0717 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
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 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FLIAAANP0003
KNApSAcK_ID C00009493
NAME Derrone
CAS_RN 76166-59-1
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(c14)(OC=C(C4=O)c(c3)ccc(O)c3)c(C=2)c(OC(C2)(C)C)cc1O
M END
