Mol:FLNC4ANS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 25 0 0 0 0 0 0 0 0999 V2000 | + | 24 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9742 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9742 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4179 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1382 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1382 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1382 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1382 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7150 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 1.2917 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2917 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1578 0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1578 0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9742 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9742 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4179 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4179 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1620 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1620 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4294 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4294 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3082 0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3082 0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7150 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7150 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3314 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3314 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8313 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8313 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1398 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1398 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2968 3.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2968 3.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0016 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0016 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8650 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8650 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 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 |
| − | 8 16 1 0 0 0 0 | + | 8 16 1 0 0 0 0 |
| − | 5 17 1 1 0 0 0 | + | 5 17 1 1 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 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 |
| − | 3 23 1 0 0 0 0 | + | 3 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 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 0.715 1.6756 | + | M SVB 3 24 0.715 1.6756 |
| − | 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 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -0.1398 2.2367 | + | M SVB 2 22 -0.1398 2.2367 |
| − | 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 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.3314 1.9613 | + | M SVB 1 20 -1.3314 1.9613 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNC4ANS0001 | + | ID FLNC4ANS0001 |
| − | KNApSAcK_ID C00010263 | + | KNApSAcK_ID C00010263 |
| − | NAME Kuhlmanniquinol;(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol | + | NAME Kuhlmanniquinol;(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol |
| − | CAS_RN 21044-87-1 | + | CAS_RN 21044-87-1 |
| − | FORMULA C18H20O5 | + | FORMULA C18H20O5 |
| − | EXACTMASS 316.13107375 | + | EXACTMASS 316.13107375 |
| − | AVERAGEMASS 316.3484 | + | AVERAGEMASS 316.3484 |
| − | SMILES c(c2O)c(c(c(c2OC)OC)OC)[C@](c(c1)ccc(O)c1)([H])C=C | + | SMILES c(c2O)c(c(c(c2OC)OC)OC)[C@](c(c1)ccc(O)c1)([H])C=C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 25 0 0 0 0 0 0 0 0999 V2000
-0.9742 1.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 1.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1382 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 0.3437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2917 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1578 0.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9742 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 0.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1620 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -1.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4294 0.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3082 0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7150 -2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3314 1.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8313 2.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1398 2.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2968 3.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0016 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8650 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 6 0 0 0
6 7 2 0 0 0 0
1 8 1 0 0 0 0
8 9 2 0 0 0 0
9 4 1 0 0 0 0
5 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
8 16 1 0 0 0 0
5 17 1 1 0 0 0
13 18 1 0 0 0 0
1 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
3 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 24
M SMT 3 OCH3
M SVB 3 24 0.715 1.6756
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -0.1398 2.2367
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.3314 1.9613
S SKP 8
ID FLNC4ANS0001
KNApSAcK_ID C00010263
NAME Kuhlmanniquinol;(R)-5,4'-Dihydroxy-2,3,4-trimethoxydalbergiquinol
CAS_RN 21044-87-1
FORMULA C18H20O5
EXACTMASS 316.13107375
AVERAGEMASS 316.3484
SMILES c(c2O)c(c(c(c2OC)OC)OC)[C@](c(c1)ccc(O)c1)([H])C=C
M END
