Mol:FL4DACNN0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 39 0 0 0 0 0 0 0 0999 V2000 | + | 35 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8631 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8631 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3423 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3423 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8214 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8214 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8214 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8214 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3423 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3423 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8631 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8631 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3005 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3005 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2204 -1.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.2204 -1.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.2204 -1.2900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2204 -1.2900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3005 -0.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3005 -0.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3005 -2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3005 -2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3423 -2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3423 -2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8045 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8045 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3264 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3264 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8483 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8483 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8483 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8483 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3264 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3264 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8045 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8045 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7565 -2.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7565 -2.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3699 -0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3699 -0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2011 0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2011 0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6018 0.6037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6018 0.6037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3566 0.0531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.3566 0.0531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.3006 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3006 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6033 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6033 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3006 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3006 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3046 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3046 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6073 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6073 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3046 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3046 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6071 2.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6071 2.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3699 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3699 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4836 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4836 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4459 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4459 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2216 -0.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2216 -0.2720 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 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 23 34 1 0 0 0 0 | + | 23 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 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 34 35 | + | M SAL 2 2 34 35 |
| − | M SBL 2 1 38 | + | M SBL 2 1 38 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 38 -0.4459 0.3591 | + | M SVB 2 38 -0.4459 0.3591 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 0.7691 2.7931 | + | M SVB 1 36 0.7691 2.7931 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACNN0004 | + | ID FL4DACNN0004 |
| − | KNApSAcK_ID C00008663 | + | KNApSAcK_ID C00008663 |
| − | NAME Isosilychristin | + | NAME Isosilychristin |
| − | CAS_RN 77182-66-2 | + | CAS_RN 77182-66-2 |
| − | FORMULA C25H22O10 | + | FORMULA C25H22O10 |
| − | EXACTMASS 482.121296924 | + | EXACTMASS 482.121296924 |
| − | AVERAGEMASS 482.43618000000004 | + | AVERAGEMASS 482.43618000000004 |
| − | SMILES c(C2=O)(c1O)c(O[C@H](c(c5)c(C3CO)c(c(O)c5)OC3c(c4)ccc(O)c(OC)4)[C@H]2O)cc(c1)O | + | SMILES c(C2=O)(c1O)c(O[C@H](c(c5)c(C3CO)c(c(O)c5)OC3c(c4)ccc(O)c(OC)4)[C@H]2O)cc(c1)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/
35 39 0 0 0 0 0 0 0 0999 V2000
-1.8631 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3423 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8214 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3423 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8631 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3005 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2204 -1.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2204 -1.2900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3005 -0.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3005 -2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3423 -2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3264 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8483 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8483 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3264 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7565 -2.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3699 -0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2011 0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6018 0.6037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3566 0.0531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.3006 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6033 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3006 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3046 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6073 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3046 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6071 2.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3699 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4836 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4459 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 -0.2720 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
8 19 1 1 0 0 0
6 20 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 18 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
27 30 1 0 0 0 0
16 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
23 34 1 0 0 0 0
34 35 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 34 35
M SBL 2 1 38
M SMT 2 CH2OH
M SVB 2 38 -0.4459 0.3591
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 0.7691 2.7931
S SKP 8
ID FL4DACNN0004
KNApSAcK_ID C00008663
NAME Isosilychristin
CAS_RN 77182-66-2
FORMULA C25H22O10
EXACTMASS 482.121296924
AVERAGEMASS 482.43618000000004
SMILES c(C2=O)(c1O)c(O[C@H](c(c5)c(C3CO)c(c(O)c5)OC3c(c4)ccc(O)c(OC)4)[C@H]2O)cc(c1)O
M END
