Mol:FL1CG9NS0004
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 |
| − | -1.8725 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8725 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8725 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3162 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3162 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7599 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7599 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7599 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7599 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3162 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3162 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2036 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2036 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3527 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3527 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9088 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9088 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4649 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4649 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0259 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0259 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5869 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5869 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5869 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5869 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0259 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0259 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4649 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4649 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2036 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2036 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3162 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3162 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2297 0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2297 0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7296 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7296 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1061 0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1061 0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9722 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9722 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5602 -0.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5602 -0.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9281 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9281 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0381 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0381 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6015 2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6015 2.1495 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 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 |
| − | 6 24 1 0 0 0 0 | + | 6 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 -1.0381 1.2499 | + | M SVB 4 25 -1.0381 1.2499 |
| − | 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 -2.5869 -0.1952 | + | M SVB 3 23 -2.5869 -0.1952 |
| − | 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 -0.2038 0.6768 | + | M SVB 2 21 -0.2038 0.6768 |
| − | 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 -2.2297 0.9745 | + | M SVB 1 19 -2.2297 0.9745 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CG9NS0004 | + | ID FL1CG9NS0004 |
| − | KNApSAcK_ID C00006985 | + | KNApSAcK_ID C00006985 |
| − | NAME Kanakugiol | + | NAME Kanakugiol |
| − | CAS_RN 57499-44-2 | + | CAS_RN 57499-44-2 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES C(c(c2O)c(c(c(c2OC)OC)OC)OC)(=O)C=Cc(c1)cccc1 | + | SMILES C(c(c2O)c(c(c(c2OC)OC)OC)OC)(=O)C=Cc(c1)cccc1 |
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
-1.8725 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8725 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 0.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3527 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9088 -0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4649 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0259 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 -0.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5869 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0259 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4649 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 -1.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3162 -1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2297 0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7296 1.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 0.8557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9722 1.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5602 -0.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9281 -0.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0381 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6015 2.1495 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
5 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
6 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 -1.0381 1.2499
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 -2.5869 -0.1952
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 -0.2038 0.6768
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 -2.2297 0.9745
S SKP 8
ID FL1CG9NS0004
KNApSAcK_ID C00006985
NAME Kanakugiol
CAS_RN 57499-44-2
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES C(c(c2O)c(c(c(c2OC)OC)OC)OC)(=O)C=Cc(c1)cccc1
M END
