Mol:FL4DEANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.2194 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7190 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7190 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7190 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7190 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7198 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7198 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7199 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7199 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1836 -0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1836 -0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7199 -0.6150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.7199 -0.6150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.2203 -0.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.2203 -0.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.2204 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2204 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7204 -0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7204 -0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7204 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7204 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2348 -1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2348 -1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7491 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7491 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7492 -0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7492 -0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2348 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2348 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8098 0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8098 0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2194 1.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2194 1.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2624 -1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2624 -1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7199 -1.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7199 -1.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0571 -1.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0571 -1.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6416 -1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6416 -1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2133 -2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2133 -2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1305 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1305 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2188 0.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2188 0.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8542 -0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8542 -0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4689 1.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4689 1.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1239 2.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1239 2.7378 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 |
| − | 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 0 0 0 0 | + | 9 11 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 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 8 24 1 6 0 0 0 | + | 8 24 1 6 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 7 26 2 0 0 0 0 | + | 7 26 2 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 -2.3792 -0.0446 | + | M SVB 1 29 -2.3792 -0.0446 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DEANS0001 | + | ID FL4DEANS0001 |
| − | KNApSAcK_ID C00000979 | + | KNApSAcK_ID C00000979 |
| − | NAME 6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate | + | NAME 6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate |
| − | CAS_RN 130926-71-5 | + | CAS_RN 130926-71-5 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C([C@](OC(C)=O)([C@]1(c(c2)ccc(O)c2)[H])[H])=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C([C@](OC(C)=O)([C@]1(c(c2)ccc(O)c2)[H])[H])=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/
28 30 0 0 0 0 0 0 0 0999 V2000
1.2194 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7190 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7190 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7198 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7199 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1836 -0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7199 -0.6150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2203 -0.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2204 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7204 -0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7204 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2348 -1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7491 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7492 -0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2348 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8098 0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2194 1.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2624 -1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7199 -1.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0571 -1.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 -1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2133 -2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1305 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2188 0.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8542 -0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4689 1.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1239 2.7378 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
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 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 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
8 20 1 1 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
8 24 1 6 0 0 0
3 25 1 0 0 0 0
7 26 2 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 -2.3792 -0.0446
S SKP 8
ID FL4DEANS0001
KNApSAcK_ID C00000979
NAME 6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate
CAS_RN 130926-71-5
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c3OC)(O)cc(O1)c(c3O)C([C@](OC(C)=O)([C@]1(c(c2)ccc(O)c2)[H])[H])=O
M END
