Mol:FLIAECNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.0709 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0709 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4505 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4505 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9963 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9963 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1625 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1625 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7830 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7830 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2372 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2372 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7083 1.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7083 1.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8746 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8746 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4950 2.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4950 2.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9492 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9492 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4205 2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4205 2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7571 2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7571 2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2715 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2715 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4492 3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4492 3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1126 4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1126 4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5983 3.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5983 3.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0881 1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0881 1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3761 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3761 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5250 0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5250 0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1904 4.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1904 4.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0684 5.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0684 5.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2138 2.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2138 2.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3695 3.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3695 3.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8353 -0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8353 -0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1595 0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1595 0.1698 0.0000 C 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.8184 0.5773 | + | M SVB 3 26 -2.8184 0.5773 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 0.8548 -1.0369 | + | M SVB 2 24 0.8548 -1.0369 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 2.1039 -0.7282 | + | M SVB 1 22 2.1039 -0.7282 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAECNS0005 | + | ID FLIAECNS0005 |
| − | KNApSAcK_ID C00009480 | + | KNApSAcK_ID C00009480 |
| − | NAME Junipegenin B;Dalspinosin;5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone | + | NAME Junipegenin B;Dalspinosin;5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone |
| − | CAS_RN 78134-85-7 | + | CAS_RN 78134-85-7 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(OC)c(OC)c2)C1=O | + | SMILES c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(OC)c(OC)c2)C1=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-3.0709 0.4716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4505 0.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9963 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1625 1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7830 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2372 1.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 1.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8746 2.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 2.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9492 2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4205 2.9088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7571 2.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 3.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4492 3.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1126 4.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5983 3.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0881 1.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3761 0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5250 0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1904 4.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0684 5.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 2.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3695 3.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8353 -0.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1595 0.1698 0.0000 C 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.8184 0.5773
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 0.8548 -1.0369
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.1039 -0.7282
S SKP 8
ID FLIAECNS0005
KNApSAcK_ID C00009480
NAME Junipegenin B;Dalspinosin;5,7-Dihydroxy-6,3',4'-trimethoxyisoflavone
CAS_RN 78134-85-7
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c3OC)(O)cc(c(c3O)1)OC=C(c(c2)cc(OC)c(OC)c2)C1=O
M END
