Mol:FLID3ANS0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2825 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2825 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1699 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7262 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 -0.2762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.2762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0573 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6136 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4988 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6883 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0936 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6078 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6078 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4203 -1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4203 -1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0117 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0117 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6398 1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6398 1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1399 2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1399 2.1721 0.0000 C 0 0 0 0 0 0 0 0 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 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 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 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 3 2 22 23 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -2.6398 1.3061 | + | M SVB 3 25 -2.6398 1.3061 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -1.4482 1.5816 | + | M SVB 2 23 -1.4482 1.5816 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.9253 -1.1691 | + | M SVB 1 21 1.9253 -1.1691 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3ANS0005 | + | ID FLID3ANS0005 |
| − | KNApSAcK_ID C00009625 | + | KNApSAcK_ID C00009625 |
| − | NAME 4-Methoxyhomopterocarpin | + | NAME 4-Methoxyhomopterocarpin |
| − | CAS_RN 22973-36-0 | + | CAS_RN 22973-36-0 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES c(c4OC)(OC)ccc(c41)C(O3)C(c(c32)ccc(OC)c2)CO1 | + | SMILES c(c4OC)(OC)ccc(c41)C(O3)C(c(c32)ccc(OC)c2)CO1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-2.2825 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 -0.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1699 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7262 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 -0.2762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.0450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0573 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6136 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6883 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0936 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 -1.4628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4203 -1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 2.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 2.1721 0.0000 C 0 0 0 0 0 0 0 0 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 1 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 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.6398 1.3061
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -1.4482 1.5816
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.9253 -1.1691
S SKP 8
ID FLID3ANS0005
KNApSAcK_ID C00009625
NAME 4-Methoxyhomopterocarpin
CAS_RN 22973-36-0
FORMULA C18H18O5
EXACTMASS 314.115423686
AVERAGEMASS 314.33252
SMILES c(c4OC)(OC)ccc(c41)C(O3)C(c(c32)ccc(OC)c2)CO1
M END
