Mol:FL2FADNP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2028 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2028 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1843 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1843 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4071 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4071 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7523 -1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7523 -1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7381 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7381 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4638 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4638 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9973 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9973 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3235 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3235 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3328 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3328 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0166 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0166 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3817 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3817 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0751 -0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0751 -0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7951 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7951 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7886 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7886 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0853 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0853 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3673 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3673 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9973 -2.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9973 -2.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4071 -2.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4071 -2.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5120 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5120 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2223 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2223 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2223 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2223 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5120 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5120 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0853 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0853 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7895 2.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7895 2.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8583 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8583 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8138 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8138 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8583 -0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8583 -0.1063 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 13 19 1 0 0 0 0 | + | 13 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNP0003 | + | ID FL2FADNP0003 |
| − | KNApSAcK_ID C00014240 | + | KNApSAcK_ID C00014240 |
| − | NAME Abyssinin I;Abyssinoflavanone I;(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone | + | NAME Abyssinin I;Abyssinoflavanone I;(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone |
| − | CAS_RN 183990-13-8 | + | CAS_RN 183990-13-8 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c12)cc(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(C=CC(C)(C)O2)1 | + | SMILES COc(c12)cc(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(C=CC(C)(C)O2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-3.2028 -0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1843 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4071 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7523 -1.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7381 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4638 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9973 -1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3235 -1.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3328 -0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -0.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3817 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7951 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7886 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0853 1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3673 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9973 -2.4399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4071 -2.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5120 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2223 -0.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2223 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5120 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0853 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7895 2.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8583 1.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8138 0.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8583 -0.1063 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
4 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 5 1 0 0 0 0
9 11 1 6 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
13 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
21 25 1 0 0 0 0
21 26 1 0 0 0 0
1 27 1 0 0 0 0
S SKP 8
ID FL2FADNP0003
KNApSAcK_ID C00014240
NAME Abyssinin I;Abyssinoflavanone I;(2S)-5,7-Dihydroxy-3'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',5']flavanone
CAS_RN 183990-13-8
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c12)cc(C(C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(C=CC(C)(C)O2)1
M END
