Mol:FL63A9NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8645 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8645 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4027 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4027 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8006 -1.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8006 -1.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 1.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 1.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 -0.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 -0.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.5679 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 8 12 1 6 0 0 0 | + | 8 12 1 6 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63A9NS0002 | + | ID FL63A9NS0002 |
| − | KNApSAcK_ID C00008828 | + | KNApSAcK_ID C00008828 |
| − | NAME (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan | + | NAME (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan |
| − | CAS_RN 87592-94-7 | + | CAS_RN 87592-94-7 |
| − | FORMULA C15H14O6 | + | FORMULA C15H14O6 |
| − | EXACTMASS 290.07903818 | + | EXACTMASS 290.07903818 |
| − | AVERAGEMASS 290.26806 | + | AVERAGEMASS 290.26806 |
| − | SMILES Oc(c3)cc(cc(O)3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 | + | SMILES Oc(c3)cc(cc(O)3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.8645 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 0.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8006 -1.1976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 1.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 -0.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.5679 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
1 11 1 0 0 0 0
8 12 1 6 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
17 19 1 0 0 0 0
15 20 1 0 0 0 0
3 21 1 0 0 0 0
S SKP 8
ID FL63A9NS0002
KNApSAcK_ID C00008828
NAME (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan
CAS_RN 87592-94-7
FORMULA C15H14O6
EXACTMASS 290.07903818
AVERAGEMASS 290.26806
SMILES Oc(c3)cc(cc(O)3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1
M END
