Mol:FL4DDBNS0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4515 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4515 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7389 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7389 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4484 -0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4484 -0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7316 -0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7316 -0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0190 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0190 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0226 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0226 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3027 -0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3027 -0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4100 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4100 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4063 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4063 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3100 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3100 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0601 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0601 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7761 0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7761 0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4890 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4890 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4858 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4858 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7698 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7698 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0569 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0569 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 -1.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 -1.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7316 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7316 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0694 0.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0694 0.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0123 -0.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0123 -0.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7076 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7076 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1358 1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1358 1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7076 1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7076 1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3610 -1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3610 -1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2182 1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2182 1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4100 -1.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4100 -1.1929 0.0000 H 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 9 25 1 1 0 0 0 | + | 9 25 1 1 0 0 0 |
| − | 8 26 1 6 0 0 0 | + | 8 26 1 6 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DDBNS0001 | + | ID FL4DDBNS0001 |
| − | KNApSAcK_ID C00014365 | + | KNApSAcK_ID C00014365 |
| − | NAME (2R,3R)-3-Hydroxy-5,7,4'-trimethoxyflavanone | + | NAME (2R,3R)-3-Hydroxy-5,7,4'-trimethoxyflavanone |
| − | CAS_RN 76792-94-4 | + | CAS_RN 76792-94-4 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES c(c12)(OC)cc(OC)cc(OC(c(c3)ccc(OC)c3)(C(C2=O)([H])O)[H])1 | + | SMILES c(c12)(OC)cc(OC)cc(OC(c(c3)ccc(OC)c3)(C(C2=O)([H])O)[H])1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4515 0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7389 0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -0.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7316 -0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0190 -0.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0226 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3027 -0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4100 -0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4063 0.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3100 0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0601 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7761 0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4890 0.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4858 1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7698 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -1.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7316 -1.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0694 0.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0123 -0.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7076 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1358 1.9353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7076 1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 -1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2182 1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4100 -1.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 1 0 0 0
19 21 1 0 0 0 0
14 22 1 0 0 0 0
22 23 1 0 0 0 0
18 24 1 0 0 0 0
9 25 1 1 0 0 0
8 26 1 6 0 0 0
S SKP 8
ID FL4DDBNS0001
KNApSAcK_ID C00014365
NAME (2R,3R)-3-Hydroxy-5,7,4'-trimethoxyflavanone
CAS_RN 76792-94-4
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES c(c12)(OC)cc(OC)cc(OC(c(c3)ccc(OC)c3)(C(C2=O)([H])O)[H])1
M END
