Mol:FLID3CNS0006
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 |
| − | -2.1039 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.1564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.1564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4333 -0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4333 -0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8548 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8548 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 -1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 -1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9613 2.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9613 2.2919 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 -2.4612 1.4259 | + | M SVB 2 25 -2.4612 1.4259 |
| − | 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 0.8548 -1.358 | + | M SVB 1 23 0.8548 -1.358 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3CNS0006 | + | ID FLID3CNS0006 |
| − | KNApSAcK_ID C00009999 | + | KNApSAcK_ID C00009999 |
| − | NAME Melilotocarpan E;4,9-Dihydroxy-3,10-dimethoxypterocarpan | + | NAME Melilotocarpan E;4,9-Dihydroxy-3,10-dimethoxypterocarpan |
| − | CAS_RN 83013-80-3 | + | CAS_RN 83013-80-3 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c1c(OC)c(O)c2 | + | SMILES COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c1c(OC)c(O)c2 |
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
-2.1039 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -0.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.1564 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1213 0.1648 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.1213 0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4333 -0.8428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -1.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8548 -1.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 -1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9613 2.2919 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
14 18 1 0 0 0 0
12 17 1 0 0 0 0
6 19 1 0 0 0 0
13 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 -2.4612 1.4259
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 0.8548 -1.358
S SKP 8
ID FLID3CNS0006
KNApSAcK_ID C00009999
NAME Melilotocarpan E;4,9-Dihydroxy-3,10-dimethoxypterocarpan
CAS_RN 83013-80-3
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c4)c(O)c(O3)c(c4)C(O1)C(C3)c(c2)c1c(OC)c(O)c2
M END
