Mol:FLID3ANS0001
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 |
| − | -1.3712 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3712 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3712 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3712 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8708 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8708 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3703 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3703 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3703 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8708 1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8708 1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1301 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1301 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6306 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6306 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6306 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6306 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1301 1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1301 1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2503 -0.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2503 -0.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8250 -0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8250 -0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0600 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0600 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1646 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7393 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7393 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9744 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9744 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6347 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6347 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3939 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3939 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1506 0.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1506 0.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8708 1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8708 1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3277 1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3277 1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1527 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1527 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1527 -1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1527 -1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3558 -1.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3558 -1.5806 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 |
| − | 7 18 1 6 0 0 0 | + | 7 18 1 6 0 0 0 |
| − | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 24 -6.8820 6.0410 | + | M SBV 1 24 -6.8820 6.0410 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 26 -6.5122 4.8286 | + | M SBV 2 26 -6.5122 4.8286 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID3ANS0001 | + | ID FLID3ANS0001 |
| − | KNApSAcK_ID C00002536 | + | KNApSAcK_ID C00002536 |
| − | NAME 4-Hydroxyhomopterocarpin;Melilotocarpan A | + | NAME 4-Hydroxyhomopterocarpin;Melilotocarpan A |
| − | CAS_RN 61135-95-3 | + | CAS_RN 61135-95-3 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)cc(O1)c(c4)C([H])(C3)C([H])1c(c2)c(O3)c(O)c(OC)c2 | + | SMILES COc(c4)cc(O1)c(c4)C([H])(C3)C([H])1c(c2)c(O3)c(O)c(OC)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/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3712 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3712 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3703 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 1.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1301 0.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1301 1.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2503 -0.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 -0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0600 -0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 -0.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9744 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6347 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3939 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1506 0.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8708 1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3277 1.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1527 1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1527 -1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3558 -1.5806 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
7 18 1 6 0 0 0
8 19 1 6 0 0 0
6 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 ^OCH3
M SBV 1 24 -6.8820 6.0410
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SBV 2 26 -6.5122 4.8286
S SKP 8
ID FLID3ANS0001
KNApSAcK_ID C00002536
NAME 4-Hydroxyhomopterocarpin;Melilotocarpan A
CAS_RN 61135-95-3
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O1)c(c4)C([H])(C3)C([H])1c(c2)c(O3)c(O)c(OC)c2
M END
