Mol:FL2FCCGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.4549 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4549 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9340 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9340 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4131 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4131 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4131 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4131 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9340 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9340 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4549 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4549 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8922 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8922 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3713 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3713 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3713 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.3713 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.8922 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8922 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8922 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8922 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9340 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9340 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7916 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7916 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2629 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2629 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2658 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2658 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2658 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2658 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2629 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2629 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7916 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7916 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7945 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7945 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8850 0.5221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8850 0.5221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.5842 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5842 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.1627 0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1627 0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7447 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.7447 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.0455 0.5221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.0455 0.5221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4670 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4670 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.3263 0.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3263 0.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5086 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5086 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4796 0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4796 0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7675 -0.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7675 -0.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8121 0.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8121 0.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3120 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3120 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9443 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9443 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9443 -1.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9443 -1.1162 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 |
| − | 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 |
| − | 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 23 32 1 0 0 0 0 | + | 23 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 3.0976 0.0278 | + | M SVB 2 35 3.0976 0.0278 |
| − | 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 -3.8121 0.7627 | + | M SVB 1 33 -3.8121 0.7627 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCCGS0001 | + | ID FL2FCCGS0001 |
| − | KNApSAcK_ID C00008439 | + | KNApSAcK_ID C00008439 |
| − | NAME 7-O-Methyleriodictyol 3'-O-glucoside | + | NAME 7-O-Methyleriodictyol 3'-O-glucoside |
| − | CAS_RN 107140-38-5 | + | CAS_RN 107140-38-5 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3O)cc(cc3)[C@@H](O2)CC(c(c12)c(cc(c1)OC)O)=O | + | SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3O)cc(cc3)[C@@H](O2)CC(c(c12)c(cc(c1)OC)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-3.4549 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9340 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4131 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4131 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9340 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4549 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8922 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3713 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3713 0.1439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8922 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8922 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9340 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2629 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2658 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2658 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2629 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7945 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8850 0.5221 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.5842 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1627 0.1665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7447 0.0011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0455 0.5221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4670 0.3569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.3263 0.3724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5086 0.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4796 0.2715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7675 -0.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8121 0.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3120 1.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9443 -1.1162 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
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
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
16 19 1 0 0 0 0
20 21 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 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
15 29 1 0 0 0 0
29 21 1 0 0 0 0
6 30 1 0 0 0 0
30 31 1 0 0 0 0
23 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 3.0976 0.0278
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -3.8121 0.7627
S SKP 8
ID FL2FCCGS0001
KNApSAcK_ID C00008439
NAME 7-O-Methyleriodictyol 3'-O-glucoside
CAS_RN 107140-38-5
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES OC(C4O)[C@@H](O[C@H](CO)[C@@H]4O)Oc(c3O)cc(cc3)[C@@H](O2)CC(c(c12)c(cc(c1)OC)O)=O
M END
