Mol:FL4DAANC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7987 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7987 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1979 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1979 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1979 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1979 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7987 0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7987 0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3996 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3996 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3996 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3996 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5640 -1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5640 -1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9301 -0.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9301 -0.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.9301 0.0577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.9301 0.0577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.5640 0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5640 0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2742 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2742 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3715 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3715 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0172 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0172 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0172 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0172 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3715 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3715 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2742 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2742 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7223 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7223 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3360 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3360 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9498 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9498 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9498 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9498 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3360 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3360 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7223 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7223 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3196 -0.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3196 -0.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4173 0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4173 0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4173 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4173 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5640 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5640 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7987 -1.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7987 -1.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9174 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9174 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5117 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5117 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3978 -0.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3978 -0.9816 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 3 1 0 0 0 0 | + | 10 3 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 8 30 1 1 0 0 0 | + | 8 30 1 1 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 7 26 2 0 0 0 0 | + | 7 26 2 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 5 28 1 0 0 0 0 | + | 5 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANC0001 | + | ID FL4DAANC0001 |
| − | KNApSAcK_ID C00008656 | + | KNApSAcK_ID C00008656 |
| − | NAME 3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone | + | NAME 3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone |
| − | CAS_RN 144224-04-4 | + | CAS_RN 144224-04-4 |
| − | FORMULA C22H16O8 | + | FORMULA C22H16O8 |
| − | EXACTMASS 408.08451748799996 | + | EXACTMASS 408.08451748799996 |
| − | AVERAGEMASS 408.35764000000006 | + | AVERAGEMASS 408.35764000000006 |
| − | SMILES c(O)(c3c(c(O)4)cc(cc4)C=O)ccc(c3)[C@H]([C@H]1O)Oc(c2)c(c(O)cc2O)C1=O | + | SMILES c(O)(c3c(c(O)4)cc(cc4)C=O)ccc(c3)[C@H]([C@H]1O)Oc(c2)c(c(O)cc2O)C1=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.7987 -1.0212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1979 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1979 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7987 0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3996 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3996 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 -1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9301 -0.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9301 0.0577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5640 0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3715 0.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 0.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0172 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3715 1.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2742 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7223 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3360 -0.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9498 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9498 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3360 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7223 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3196 -0.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4173 0.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4173 0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 -1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7987 -1.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9174 0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5117 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -0.9816 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
2 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 3 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
9 11 1 6 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 17 1 0 0 0 0
13 22 1 0 0 0 0
17 23 1 0 0 0 0
20 24 1 0 0 0 0
8 30 1 1 0 0 0
24 25 2 0 0 0 0
7 26 2 0 0 0 0
1 27 1 0 0 0 0
5 28 1 0 0 0 0
14 29 1 0 0 0 0
S SKP 8
ID FL4DAANC0001
KNApSAcK_ID C00008656
NAME 3,5,7,4'-Tetrahydroxy-3'-(5''-formyl-2''-hydroxyphenyl)flavanone
CAS_RN 144224-04-4
FORMULA C22H16O8
EXACTMASS 408.08451748799996
AVERAGEMASS 408.35764000000006
SMILES c(O)(c3c(c(O)4)cc(cc4)C=O)ccc(c3)[C@H]([C@H]1O)Oc(c2)c(c(O)cc2O)C1=O
M END
