Mol:FL1A3CGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6015 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6015 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6015 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6015 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6399 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6399 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6399 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6399 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0313 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0313 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3211 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3211 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0313 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0313 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1591 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1591 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7629 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7629 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6467 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6467 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9470 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9470 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5476 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5476 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8479 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8479 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5476 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5476 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9470 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9470 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4474 -0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4474 -0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1131 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1131 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8474 0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8474 0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 0.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 0.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7525 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7525 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6760 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6760 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1092 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1092 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7969 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7969 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3252 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3252 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4474 1.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4474 1.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1912 1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1912 1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1010 0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1010 0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4075 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4075 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9909 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9909 2.0072 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 34 -7.2590 4.8219 | + | M SBV 1 34 -7.2590 4.8219 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1A3CGS0006 | + | ID FL1A3CGS0006 |
| − | KNApSAcK_ID C00008055 | + | KNApSAcK_ID C00008055 |
| − | NAME Maritimetin 7-glucoside | + | NAME Maritimetin 7-glucoside |
| − | CAS_RN 134955-54-7 | + | CAS_RN 134955-54-7 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c24)(c(c(cc4)O)OC(C(O)3)OC(CO)C(O)C3O)oc(c(=O)2)=Cc(c1)ccc(c1O)O | + | SMILES c(c24)(c(c(cc4)O)OC(C(O)3)OC(CO)C(O)C3O)oc(c(=O)2)=Cc(c1)ccc(c1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.6015 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6015 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6399 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3211 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0313 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1591 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7629 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6467 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5476 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8479 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5476 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4474 -0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1131 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8474 0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 0.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7525 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6760 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1092 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7969 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3252 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4474 1.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1912 1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1010 0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4075 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9909 2.0072 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 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 12 1 0 0 0 0
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 20 1 0 0 0 0
3 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 21 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 ^CH2OH
M SBV 1 34 -7.2590 4.8219
S SKP 8
ID FL1A3CGS0006
KNApSAcK_ID C00008055
NAME Maritimetin 7-glucoside
CAS_RN 134955-54-7
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c24)(c(c(cc4)O)OC(C(O)3)OC(CO)C(O)C3O)oc(c(=O)2)=Cc(c1)ccc(c1O)O
M END
