Mol:FLIAEANS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -1.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -1.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8103 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8103 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5991 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5991 -1.6763 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 2.1039 -0.8826 | + | M SVB 3 25 2.1039 -0.8826 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.8184 0.423 | + | M SVB 2 23 -2.8184 0.423 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -1.984 -0.1502 | + | M SVB 1 21 -1.984 -0.1502 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEANS0010 | + | ID FLIAEANS0010 |
| − | KNApSAcK_ID C00009470 | + | KNApSAcK_ID C00009470 |
| − | NAME 5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone | + | NAME 5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone |
| − | CAS_RN 53505-61-6 | + | CAS_RN 53505-61-6 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c3OC)(O)cc(c1c3OC)OC=C(c(c2)ccc(OC)c2)C1=O | + | SMILES c(c3OC)(O)cc(c1c3OC)OC=C(c(c2)ccc(OC)c2)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.1039 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6600 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -0.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -1.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8103 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7330 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5991 -1.6763 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 2.1039 -0.8826
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.8184 0.423
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -1.984 -0.1502
S SKP 8
ID FLIAEANS0010
KNApSAcK_ID C00009470
NAME 5-Methoxyafrormosin;7-Hydroxy-5,6,4'-trimethoxyisoflavone
CAS_RN 53505-61-6
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c3OC)(O)cc(c1c3OC)OC=C(c(c2)ccc(OC)c2)C1=O
M END
