Mol:FLIAALNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3971 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3971 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3971 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3971 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8408 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8408 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2845 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2845 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2845 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2845 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8408 1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8408 1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2718 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2718 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8281 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8281 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8281 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8281 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2718 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2718 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3842 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3842 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3842 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3842 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9790 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9790 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5737 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5737 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5737 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5737 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9790 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9790 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2718 -0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2718 -0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8408 -0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8408 -0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1679 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1679 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7900 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7900 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9534 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9534 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5097 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5097 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5097 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5097 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9534 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9534 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0091 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0091 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1679 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1679 0.5708 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 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 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 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0003 | + | ID FLIAALNP0003 |
| − | KNApSAcK_ID C00009498 | + | KNApSAcK_ID C00009498 |
| − | NAME Parvisoflavone B | + | NAME Parvisoflavone B |
| − | CAS_RN 50277-02-6 | + | CAS_RN 50277-02-6 |
| − | FORMULA C20H16O6 | + | FORMULA C20H16O6 |
| − | EXACTMASS 352.094688244 | + | EXACTMASS 352.094688244 |
| − | AVERAGEMASS 352.33744 | + | AVERAGEMASS 352.33744 |
| − | SMILES c(C3=O)(c2O)c(OC=C(c(c4)c(O)cc(O)c4)3)cc(c12)OC(C=C1)(C)C | + | SMILES c(C3=O)(c2O)c(OC=C(c(c4)c(O)cc(O)c4)3)cc(c12)OC(C=C1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3971 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3971 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2845 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2845 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 1.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2718 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8281 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8281 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2718 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3842 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3842 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 -1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5737 -0.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9790 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2718 -0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8408 -0.8585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1679 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 -1.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5097 0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0091 1.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1679 0.5708 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
12 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FLIAALNP0003
KNApSAcK_ID C00009498
NAME Parvisoflavone B
CAS_RN 50277-02-6
FORMULA C20H16O6
EXACTMASS 352.094688244
AVERAGEMASS 352.33744
SMILES c(C3=O)(c2O)c(OC=C(c(c4)c(O)cc(O)c4)3)cc(c12)OC(C=C1)(C)C
M END
