Mol:FL4DCDNS0002
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 |
| − | -1.8713 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8713 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3505 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3505 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8296 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8296 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8296 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8296 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3505 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3505 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8713 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8713 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3087 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3087 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2122 -0.4893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2122 -0.4893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.2122 0.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2122 0.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3087 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3087 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3087 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3087 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3505 -1.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3505 -1.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3781 0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3781 0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6553 -0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6553 -0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7919 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7919 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3206 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3206 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8493 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8493 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8493 1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8493 1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3206 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3206 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7919 1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7919 1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1201 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1201 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1201 -1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1201 -1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6641 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6641 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7153 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7153 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5850 1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5850 1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0088 2.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0088 2.7983 0.0000 C 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 8 14 1 0 0 0 0 | + | 8 14 1 0 0 0 0 |
| − | 9 15 1 6 0 0 0 | + | 9 15 1 6 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 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 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 1.585 1.8925 | + | M SVB 1 27 1.585 1.8925 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCDNS0002 | + | ID FL4DCDNS0002 |
| − | KNApSAcK_ID C00008745 | + | KNApSAcK_ID C00008745 |
| − | NAME 3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate | + | NAME 3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate |
| − | CAS_RN 107390-27-2 | + | CAS_RN 107390-27-2 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c21)(O)cc(O)cc(O[C@H](c(c3)cc(OC)c(O)c3)C(C2=O)OC(C)=O)1 | + | SMILES c(c21)(O)cc(O)cc(O[C@H](c(c3)cc(OC)c(O)c3)C(C2=O)OC(C)=O)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.8713 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8296 -0.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8296 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8713 0.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2122 -0.4893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.2122 0.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3087 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3087 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 -1.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3781 0.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6553 -0.9324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7919 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3206 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8493 1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3206 1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7919 1.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -1.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6641 -1.0830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7153 1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5850 1.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0088 2.7983 0.0000 C 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
8 14 1 0 0 0 0
9 15 1 6 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 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 1.585 1.8925
S SKP 8
ID FL4DCDNS0002
KNApSAcK_ID C00008745
NAME 3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate
CAS_RN 107390-27-2
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c21)(O)cc(O)cc(O[C@H](c(c3)cc(OC)c(O)c3)C(C2=O)OC(C)=O)1
M END
