Mol:FL3FAACS0043
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3858 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3858 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3858 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3858 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8295 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8295 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2732 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2732 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2732 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2732 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8295 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8295 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2831 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2831 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8394 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8394 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8394 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8394 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2831 -0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2831 -0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2831 -1.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2831 -1.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8295 -1.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8295 -1.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9419 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9419 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4000 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4000 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9288 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9288 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4575 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4575 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4575 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4575 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9288 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9288 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4000 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4000 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9862 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9862 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4748 1.3080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.4748 1.3080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.0829 0.6687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0829 0.6687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5673 0.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5673 0.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.9073 0.8543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9073 0.8543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.3610 1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9179 1.0812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.9179 1.0812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.9861 1.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9861 1.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8178 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8178 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1923 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1923 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1189 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1189 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3848 2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3848 2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 3 12 1 0 0 0 0 | + | 3 12 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 6 1 0 0 0 0 | + | 24 6 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 33 -2.1189 1.9683 | + | M SVB 1 33 -2.1189 1.9683 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0043 | + | ID FL3FAACS0043 |
| − | KNApSAcK_ID C00006361 | + | KNApSAcK_ID C00006361 |
| − | NAME Neovitexin | + | NAME Neovitexin |
| − | CAS_RN 29774-67-2 | + | CAS_RN 29774-67-2 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES [C@H]([C@@H](O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC(CO)[C@H](O)[C@@H]1O | + | SMILES [C@H]([C@@H](O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC(CO)[C@H](O)[C@@H]1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.3858 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3858 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8295 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2732 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2732 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8295 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 -1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8394 -1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8394 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 -0.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 -1.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8295 -1.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9419 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4575 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9288 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 0.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9862 0.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4748 1.3080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0829 0.6687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5673 0.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.9073 0.8543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.3610 1.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9179 1.0812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.9861 1.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8178 0.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1923 0.3286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1189 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3848 2.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
3 12 1 0 0 0 0
1 13 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
9 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 6 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 -2.1189 1.9683
S SKP 8
ID FL3FAACS0043
KNApSAcK_ID C00006361
NAME Neovitexin
CAS_RN 29774-67-2
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES [C@H]([C@@H](O)1)(c(c(O)4)c(O2)c(c(O)c4)C(=O)C=C2c(c3)ccc(O)c3)OC(CO)[C@H](O)[C@@H]1O
M END
