Mol:FLIDHYNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0996 0.9407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0996 0.9407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6557 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3702 0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3702 0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5774 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5774 -1.7095 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 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 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 2.0823 -0.9157 | + | M SVB 2 24 2.0823 -0.9157 |
| − | 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 0.6557 1.2618 | + | M SVB 1 22 0.6557 1.2618 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHYNS0003 | + | ID FLIDHYNS0003 |
| − | KNApSAcK_ID C00010010 | + | KNApSAcK_ID C00010010 |
| − | NAME Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan | + | NAME Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan |
| − | CAS_RN 104700-87-0 | + | CAS_RN 104700-87-0 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)cc(O1)c(c4)C(C(OC)2)C1c(c3)c(cc(O)c3)O2 | + | SMILES COc(c4)cc(O1)c(c4)C(C(OC)2)C1c(c3)c(cc(O)c3)O2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0996 0.9407 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 1.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3702 0.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5774 -1.7095 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 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
7 17 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
9 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
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 2.0823 -0.9157
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 0.6557 1.2618
S SKP 8
ID FLIDHYNS0003
KNApSAcK_ID C00010010
NAME Sophoracarpan A;(6R,6aS,11aR)-3-Hydroxy-6,9-dimethoxypterocarpan
CAS_RN 104700-87-0
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O1)c(c4)C(C(OC)2)C1c(c3)c(cc(O)c3)O2
M END
