Mol:FL3F19NF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7652 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7652 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4796 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4796 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3783 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3783 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3783 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3783 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6512 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6512 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4716 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4716 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8072 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8072 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 2.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 2.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8060 2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8060 2.4747 0.0000 C 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 4 1 0 0 0 0 | + | 20 4 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0002 | + | ID FL3F19NF0002 |
| − | KNApSAcK_ID C00013448 | + | KNApSAcK_ID C00013448 |
| − | NAME Cauliflorin A;Pongol methyl ether;2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Cauliflorin A;Pongol methyl ether;2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 73937-37-8 | + | CAS_RN 73937-37-8 |
| − | FORMULA C18H12O4 | + | FORMULA C18H12O4 |
| − | EXACTMASS 292.073558872 | + | EXACTMASS 292.073558872 |
| − | AVERAGEMASS 292.28548 | + | AVERAGEMASS 292.28548 |
| − | SMILES C(c24)(=O)C=C(Oc2c(c3cc4)cco3)c(c1)cc(OC)cc1 | + | SMILES C(c24)(=O)C=C(Oc2c(c3cc4)cco3)c(c1)cc(OC)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-0.7652 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 0.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 2.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8060 2.4747 0.0000 C 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
1 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 2 1 0 0 0 0
9 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
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 4 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL3F19NF0002
KNApSAcK_ID C00013448
NAME Cauliflorin A;Pongol methyl ether;2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 73937-37-8
FORMULA C18H12O4
EXACTMASS 292.073558872
AVERAGEMASS 292.28548
SMILES C(c24)(=O)C=C(Oc2c(c3cc4)cco3)c(c1)cc(OC)cc1
M END
