Mol:FL1C1ANP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4578 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4578 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4578 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4578 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0141 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0141 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5704 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5704 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5704 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5704 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0141 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0141 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2008 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2008 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7571 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7571 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3553 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3553 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9162 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9162 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3553 -0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3553 -0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9162 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9162 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4689 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4689 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4689 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4689 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1267 1.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1267 1.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5742 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5742 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5742 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5742 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0215 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0215 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4689 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4689 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1267 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1267 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4642 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4642 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5321 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5321 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5740 1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5740 1.3614 0.0000 O 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0003 | + | ID FL1C1ANP0003 |
| − | KNApSAcK_ID C00007062 | + | KNApSAcK_ID C00007062 |
| − | NAME Bavachromanol | + | NAME Bavachromanol |
| − | CAS_RN 74061-77-1 | + | CAS_RN 74061-77-1 |
| − | FORMULA C20H20O5 | + | FORMULA C20H20O5 |
| − | EXACTMASS 340.13107375 | + | EXACTMASS 340.13107375 |
| − | AVERAGEMASS 340.3698 | + | AVERAGEMASS 340.3698 |
| − | SMILES Oc(c3)ccc(c3)C=CC(=O)c(c2)c(c1c(c2)O)OC(C)(C)C(O)C1 | + | SMILES Oc(c3)ccc(c3)C=CC(=O)c(c2)c(c1c(c2)O)OC(C)(C)C(O)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.4578 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4578 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0141 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5704 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5704 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0141 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2008 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7571 0.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3553 0.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9162 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3553 -0.5701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9162 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 1.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1267 1.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5742 0.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5742 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 -0.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4689 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1267 -0.8720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4642 -1.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5321 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5740 1.3614 0.0000 O 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
17 5 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 16 1 0 0 0 0
19 22 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
14 25 1 0 0 0 0
S SKP 8
ID FL1C1ANP0003
KNApSAcK_ID C00007062
NAME Bavachromanol
CAS_RN 74061-77-1
FORMULA C20H20O5
EXACTMASS 340.13107375
AVERAGEMASS 340.3698
SMILES Oc(c3)ccc(c3)C=CC(=O)c(c2)c(c1c(c2)O)OC(C)(C)C(O)C1
M END
