Mol:FL3FGCGS0010
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 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2972 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2972 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2972 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2972 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1539 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1539 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6049 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6049 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6049 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6049 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1539 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1539 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0560 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0560 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5071 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5071 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5071 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5071 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0560 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0560 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2277 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2277 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9580 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9580 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4177 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4177 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8774 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8774 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8774 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8774 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4177 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4177 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9580 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9580 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7585 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7585 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3370 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3370 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4177 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4177 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1539 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1539 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8942 0.7212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.8942 0.7212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7164 0.0577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7164 0.0577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0296 0.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0296 0.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4348 -0.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.4348 -0.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6125 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6125 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2995 0.3778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2995 0.3778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2568 0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2568 0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1557 0.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1557 0.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8918 -0.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8918 -0.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7830 -0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7830 -0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3927 0.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3927 0.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7908 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7908 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1223 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1223 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6856 1.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6856 1.5720 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 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 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 2 31 1 0 0 0 0 | + | 2 31 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 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 37 | + | M SBL 2 1 37 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 37 -2.1223 0.7457 | + | M SVB 2 37 -2.1223 0.7457 |
| − | 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 0.3927 0.6676 | + | M SVB 1 35 0.3927 0.6676 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FGCGS0010 | + | ID FL3FGCGS0010 |
| − | KNApSAcK_ID C00004522 | + | KNApSAcK_ID C00004522 |
| − | NAME Pleurostimin 7-glucoside;5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside | + | NAME Pleurostimin 7-glucoside;5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H22O13 | + | FORMULA C22H22O13 |
| − | EXACTMASS 494.10604078999995 | + | EXACTMASS 494.10604078999995 |
| − | AVERAGEMASS 494.40228 | + | AVERAGEMASS 494.40228 |
| − | SMILES c(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)3)(c(c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O)O)O | + | SMILES c(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)3)(c(c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O)O)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 38 0 0 0 0 0 0 0 0999 V2000
-0.2972 -0.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2972 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1539 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6049 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6049 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1539 0.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 -0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5071 -0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5071 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0560 0.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2277 -1.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9580 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8774 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8774 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 0.9134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9580 0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7585 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3370 0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1539 -1.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8942 0.7212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7164 0.0577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0296 0.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4348 -0.2895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6125 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 0.3778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2568 0.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1557 0.3113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8918 -0.4601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7830 -0.9445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3927 0.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 1.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1223 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 1.5720 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
9 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
18 1 1 0 0 0 0
15 19 1 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 18 1 0 0 0 0
2 31 1 0 0 0 0
6 32 1 0 0 0 0
32 33 1 0 0 0 0
27 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 37
M SMT 2 CH2OH
M SVB 2 37 -2.1223 0.7457
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 0.3927 0.6676
S SKP 8
ID FL3FGCGS0010
KNApSAcK_ID C00004522
NAME Pleurostimin 7-glucoside;5,6,7,3',4'-Pentahydroxy-8-methoxyflavone 7-glucoside
CAS_RN -
FORMULA C22H22O13
EXACTMASS 494.10604078999995
AVERAGEMASS 494.40228
SMILES c(c(O[C@H](O4)[C@@H](O)[C@H]([C@H](C(CO)4)O)O)3)(c(c(c2c3OC)C(=O)C=C(O2)c(c1)ccc(c1O)O)O)O
M END
