Mol:FL1C1ANF0002
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0639 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0639 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0639 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0639 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6202 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6202 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1765 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1765 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1765 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1765 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6202 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6202 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8070 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8070 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3633 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3633 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2509 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2509 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3101 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3101 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2509 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2509 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3101 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3101 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8627 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8627 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4154 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4154 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4154 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4154 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8627 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8627 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7328 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7328 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8627 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8627 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0223 0.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0223 0.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3974 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3974 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0223 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0223 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0354 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0354 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3544 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3544 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3544 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3544 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7328 0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7328 0.3276 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 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 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 FL1C1ANF0002 | + | ID FL1C1ANF0002 |
| − | KNApSAcK_ID C00007060 | + | KNApSAcK_ID C00007060 |
| − | NAME Bakuchalcone | + | NAME Bakuchalcone |
| − | CAS_RN 84575-13-3 | + | CAS_RN 84575-13-3 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES Oc(c3)ccc(c3)C=CC(c(c(O)2)ccc(c21)OC(C(C)(C)O)C1)=O | + | SMILES Oc(c3)ccc(c3)C=CC(c(c(O)2)ccc(c21)OC(C(C)(C)O)C1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
2.0639 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1765 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6202 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8070 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3633 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2509 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3101 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2509 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3101 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4154 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4154 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7328 0.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8627 -0.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0223 0.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3974 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0223 -0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0354 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3544 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3544 0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7328 0.3276 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
17 5 1 0 0 0 0
16 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
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL1C1ANF0002
KNApSAcK_ID C00007060
NAME Bakuchalcone
CAS_RN 84575-13-3
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c3)ccc(c3)C=CC(c(c(O)2)ccc(c21)OC(C(C)(C)O)C1)=O
M END
