Mol:FL2FA9NP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2712 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2712 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7503 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7503 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2294 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2294 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2294 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2294 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7503 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7503 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2712 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2712 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2915 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2915 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8124 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8124 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8124 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8124 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2915 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2915 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2915 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2915 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8671 0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8671 0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4015 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4015 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4015 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4015 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8671 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8671 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7920 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7920 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7503 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7503 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2712 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2712 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7920 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7920 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3220 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3220 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4015 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4015 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7503 -1.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7503 -1.4676 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NP0003 | + | ID FL2FA9NP0003 |
| − | KNApSAcK_ID C00008431 | + | KNApSAcK_ID C00008431 |
| − | NAME Obovatin | + | NAME Obovatin |
| − | CAS_RN 69640-77-3 | + | CAS_RN 69640-77-3 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)cccc2 | + | SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)cccc2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.2712 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7503 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2294 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2294 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7503 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2712 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8124 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8124 0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2915 -1.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8671 0.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4015 0.3359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4015 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8671 1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 0.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7503 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2712 1.2384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7920 0.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3220 1.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4015 0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7503 -1.4676 0.0000 O 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
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
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
2 24 1 0 0 0 0
S SKP 8
ID FL2FA9NP0003
KNApSAcK_ID C00008431
NAME Obovatin
CAS_RN 69640-77-3
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES C(=O)(C1)c(c(O)3)c(c(C=4)c(OC(C4)(C)C)c3)OC1c(c2)cccc2
M END
