Mol:FLIDWXNS0006
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4612 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3486 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3486 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9049 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9049 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2359 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2359 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7923 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7923 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3201 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3201 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5097 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5097 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7864 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7864 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9149 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9149 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8184 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8184 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3184 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3184 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1039 0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1039 0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8184 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8184 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3757 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3757 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2418 -1.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2418 -1.6197 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 2 0 0 0 0 | + | 7 8 2 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 |
| − | 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 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 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 1.7467 -0.826 | + | M SVB 3 26 1.7467 -0.826 |
| − | 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 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.1039 0.4101 | + | M SVB 2 24 2.1039 0.4101 |
| − | 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 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.8184 1.6492 | + | M SVB 1 22 -2.8184 1.6492 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDWXNS0006 | + | ID FLIDWXNS0006 |
| − | KNApSAcK_ID C00009698 | + | KNApSAcK_ID C00009698 |
| − | NAME Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene | + | NAME Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene |
| − | CAS_RN 55306-15-5 | + | CAS_RN 55306-15-5 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1 | + | SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1 |
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 27 0 0 0 0 0 0 0 0999 V2000
-2.4612 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3486 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 0.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2359 1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 1.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3201 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7864 -0.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 -1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8184 1.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3184 2.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1039 0.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8184 -0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 -1.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2418 -1.6197 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 2 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
13 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
14 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 26
M SMT 3 OCH3
M SVB 3 26 1.7467 -0.826
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.1039 0.4101
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.8184 1.6492
S SKP 8
ID FLIDWXNS0006
KNApSAcK_ID C00009698
NAME Bryacarpene 2;10-Hydroxy-3,8,9-trimethoxypterocarpene
CAS_RN 55306-15-5
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c4OC)c(c3c(c4OC)O)c(c(o3)2)COc(c21)cc(OC)cc1
M END
