Mol:FL1C3CNS0003
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.2643 0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2643 0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7722 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7722 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1685 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1685 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0570 0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0570 0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5491 1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5491 1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1527 0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1527 0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4534 0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4534 0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3418 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3418 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7384 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7384 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6269 2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6269 2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0182 2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0182 2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0943 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0943 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4020 3.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4020 3.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0107 3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0107 3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0693 0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0693 0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6766 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6766 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2895 4.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2895 4.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4857 4.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4857 4.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9679 0.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9679 0.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9527 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9527 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3782 -0.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3782 -0.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5657 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5657 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0340 3.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0340 3.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9737 3.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9737 3.8809 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 24 25 | + | M SAL 4 2 24 25 |
| − | M SBL 4 1 25 | + | M SBL 4 1 25 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 25 2.1529 -0.3552 | + | M SVB 4 25 2.1529 -0.3552 |
| − | 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 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 -3.2246 -0.0575 | + | M SVB 3 23 -3.2246 -0.0575 |
| − | 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 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 -2.8674 1.1122 | + | M SVB 2 21 -2.8674 1.1122 |
| − | 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 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 2.5101 0.8227 | + | M SVB 1 19 2.5101 0.8227 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CNS0003 | + | ID FL1C3CNS0003 |
| − | KNApSAcK_ID C00006971 | + | KNApSAcK_ID C00006971 |
| − | NAME Okanin 3,4,3',4'-tetramethyl ether | + | NAME Okanin 3,4,3',4'-tetramethyl ether |
| − | CAS_RN 94285-19-5 | + | CAS_RN 94285-19-5 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES c(c1O)(OC)c(OC)ccc1C(=O)C=Cc(c2)cc(OC)c(OC)c2 | + | SMILES c(c1O)(OC)c(OC)ccc1C(=O)C=Cc(c2)cc(OC)c(OC)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
-3.2643 0.1937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7722 -0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1685 0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0570 0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5491 1.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1527 0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4534 0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3418 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7384 1.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6269 2.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0182 2.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0943 3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4020 3.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0107 3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 2.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2895 4.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4857 4.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9679 0.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9527 0.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3782 -0.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5657 -0.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 3.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9737 3.8809 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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
13 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 25
M SMT 4 OCH3
M SVB 4 25 2.1529 -0.3552
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 -3.2246 -0.0575
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 -2.8674 1.1122
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 2.5101 0.8227
S SKP 8
ID FL1C3CNS0003
KNApSAcK_ID C00006971
NAME Okanin 3,4,3',4'-tetramethyl ether
CAS_RN 94285-19-5
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES c(c1O)(OC)c(OC)ccc1C(=O)C=Cc(c2)cc(OC)c(OC)c2
M END
