Mol:FLIC3LNS0002
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 |
| − | 3.1952 -3.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1952 -3.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2512 -2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2512 -2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7250 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7250 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1428 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1428 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0868 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0868 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6130 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6130 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6166 -2.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6166 -2.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0344 -2.4947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0344 -2.4947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.9785 -3.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9785 -3.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5047 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5047 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5084 -2.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5084 -2.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5683 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5683 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0057 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0057 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6168 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6168 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6766 -2.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6766 -2.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1140 -2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1140 -2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7212 -3.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7212 -3.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0655 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0655 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4359 -0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4359 -0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2551 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2551 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2861 -4.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2861 -4.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7729 -5.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7729 -5.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2740 -1.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2740 -1.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5982 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -1.1005 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 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 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 -0.1163 -0.688 | + | M SVB 3 25 -0.1163 -0.688 |
| − | 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 -1.3488 1.787 | + | M SVB 2 23 -1.3488 1.787 |
| − | 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 2.0247 -0.9637 | + | M SVB 1 21 2.0247 -0.9637 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC3LNS0002 | + | ID FLIC3LNS0002 |
| − | KNApSAcK_ID C00009722 | + | KNApSAcK_ID C00009722 |
| − | NAME Duartin;7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan | + | NAME Duartin;7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan |
| − | CAS_RN 52305-04-1 | + | CAS_RN 52305-04-1 |
| − | FORMULA C18H20O6 | + | FORMULA C18H20O6 |
| − | EXACTMASS 332.125988372 | + | EXACTMASS 332.125988372 |
| − | AVERAGEMASS 332.3478 | + | AVERAGEMASS 332.3478 |
| − | SMILES c(c1OC)(O)c(OC)ccc1C(C3)Cc(c2O3)ccc(c2OC)O | + | SMILES c(c1OC)(O)c(OC)ccc1C(C3)Cc(c2O3)ccc(c2OC)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
3.1952 -3.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2512 -2.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7250 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 -3.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6166 -2.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0344 -2.4947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9785 -3.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5047 -3.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5084 -2.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5683 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -1.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6168 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6766 -2.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1140 -2.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7212 -3.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0655 -0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4359 -0.7649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2551 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2861 -4.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7729 -5.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2740 -1.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5982 -1.1005 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 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
1 2 1 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
12 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 -0.1163 -0.688
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 -1.3488 1.787
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 2.0247 -0.9637
S SKP 8
ID FLIC3LNS0002
KNApSAcK_ID C00009722
NAME Duartin;7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan
CAS_RN 52305-04-1
FORMULA C18H20O6
EXACTMASS 332.125988372
AVERAGEMASS 332.3478
SMILES c(c1OC)(O)c(OC)ccc1C(C3)Cc(c2O3)ccc(c2OC)O
M END
