Mol:FLIDHXNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7564 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7564 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7564 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7564 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2560 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2560 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7555 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7555 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7555 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7555 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2560 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2560 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2551 0.1932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.2551 0.1932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.2454 0.4821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2454 0.4821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.2454 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2454 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2551 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2551 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1349 -0.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1349 -0.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4398 -0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4398 -0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6748 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6748 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7795 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7795 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3542 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3542 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5892 -0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5892 -0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2495 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2495 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7307 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7307 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6984 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6984 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5753 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5753 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3971 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3971 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1136 1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1136 1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6136 2.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6136 2.5447 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 |
| − | 7 11 1 0 0 0 0 | + | 7 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 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 7 19 1 1 0 0 0 | + | 7 19 1 1 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.1136 1.6787 | + | M SVB 2 25 -2.1136 1.6787 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.3992 -1.2662 | + | M SVB 1 23 1.3992 -1.2662 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNS0005 | + | ID FLIDHXNS0005 |
| − | KNApSAcK_ID C00002582 | + | KNApSAcK_ID C00002582 |
| − | NAME (-)-Variabilin;Homopisatin;6a-Hydroxy-3,9-dimethoxypterocarpan | + | NAME (-)-Variabilin;Homopisatin;6a-Hydroxy-3,9-dimethoxypterocarpan |
| − | CAS_RN 3187-52-8 | + | CAS_RN 3187-52-8 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)cc(O3)c(c4)[C@@]([H])(O1)[C@](O)(C3)c(c2)c(cc(OC)c2)1 | + | SMILES COc(c4)cc(O3)c(c4)[C@@]([H])(O1)[C@](O)(C3)c(c2)c(cc(OC)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.7564 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7564 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7555 0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7555 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2560 1.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2551 0.1932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2454 0.4821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2454 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2551 1.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1349 -0.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4398 -0.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6748 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7795 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3542 -0.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5892 -0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2495 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7307 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6984 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5753 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3971 -1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 1.6787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6136 2.5447 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
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 13 1 0 0 0 0
8 18 1 1 0 0 0
7 19 1 1 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.1136 1.6787
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.3992 -1.2662
S SKP 8
ID FLIDHXNS0005
KNApSAcK_ID C00002582
NAME (-)-Variabilin;Homopisatin;6a-Hydroxy-3,9-dimethoxypterocarpan
CAS_RN 3187-52-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O3)c(c4)[C@@]([H])(O1)[C@](O)(C3)c(c2)c(cc(OC)c2)1
M END
