Mol:FL2FA9NM0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1450 0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1450 0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1438 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1438 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4271 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4271 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7148 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7148 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7150 0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7150 0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4295 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4295 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0019 -0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0019 -0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7141 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7141 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7129 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7129 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0005 0.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0005 0.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4295 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4295 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8573 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8573 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8572 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8572 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1427 2.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1427 2.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4283 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4283 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0024 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0024 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4313 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4313 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8573 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8573 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4295 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4295 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8052 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8052 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1176 -2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1176 -2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9325 2.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9325 2.0607 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 |
| − | 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 20 23 2 0 0 0 0 | + | 20 23 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NM0017 | + | ID FL2FA9NM0017 |
| − | KNApSAcK_ID C00014153 | + | KNApSAcK_ID C00014153 |
| − | NAME Desmosflavanone II;7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone | + | NAME Desmosflavanone II;7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone |
| − | CAS_RN 219917-96-1 | + | CAS_RN 219917-96-1 |
| − | FORMULA C18H16O5 | + | FORMULA C18H16O5 |
| − | EXACTMASS 312.099773622 | + | EXACTMASS 312.099773622 |
| − | AVERAGEMASS 312.31664 | + | AVERAGEMASS 312.31664 |
| − | SMILES O(C2c(c3)cccc3)c(c1C=O)c(C(=O)C2)c(c(c1O)C)OC | + | SMILES O(C2c(c3)cccc3)c(c1C=O)c(C(=O)C2)c(c(c1O)C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.1450 0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1438 -0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4271 -0.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7148 -0.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7150 0.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 0.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0019 -0.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 -0.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7129 0.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0005 0.8108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 0.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8573 0.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8572 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 2.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0024 -1.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4313 -1.6644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 1.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8052 -0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1176 -2.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9325 2.0607 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
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
1 19 1 0 0 0 0
6 20 1 0 0 0 0
2 21 1 0 0 0 0
18 22 1 0 0 0 0
20 23 2 0 0 0 0
S SKP 8
ID FL2FA9NM0017
KNApSAcK_ID C00014153
NAME Desmosflavanone II;7-Hydroxy-5-methoxy-6-methyl-8-formylflavanone
CAS_RN 219917-96-1
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES O(C2c(c3)cccc3)c(c1C=O)c(C(=O)C2)c(c(c1O)C)OC
M END
