Mol:FL3FAANP0006
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8352 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8352 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8352 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8352 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5496 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5496 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2641 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2641 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2641 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2641 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5496 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5496 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4062 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4062 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4062 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4062 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3082 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3082 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0227 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0227 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7372 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7372 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7372 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7372 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0227 1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0227 1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3082 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3082 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1207 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1207 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5496 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5496 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9786 0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9786 0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4516 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4516 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1661 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1661 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1661 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1661 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4516 1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4516 1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9786 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9786 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4483 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4483 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANP0006 | + | ID FL3FAANP0006 |
| − | KNApSAcK_ID C00013431 | + | KNApSAcK_ID C00013431 |
| − | NAME Yinyanghuo C;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one | + | NAME Yinyanghuo C;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 149182-47-8 | + | CAS_RN 149182-47-8 |
| − | FORMULA C20H16O5 | + | FORMULA C20H16O5 |
| − | EXACTMASS 336.099773622 | + | EXACTMASS 336.099773622 |
| − | AVERAGEMASS 336.33804000000003 | + | AVERAGEMASS 336.33804000000003 |
| − | SMILES c(c12)(ccc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c2)OC(C=C1)(C)C | + | SMILES c(c12)(ccc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c2)OC(C=C1)(C)C |
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 28 0 0 0 0 0 0 0 0999 V2000
-1.8352 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8352 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -1.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4062 -0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4062 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7372 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0227 1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1207 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5496 -2.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1661 0.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1661 1.2624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4483 2.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 1 0 0 0 0
9 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 2 0 0 0 0
6 18 1 0 0 0 0
4 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
S SKP 8
ID FL3FAANP0006
KNApSAcK_ID C00013431
NAME Yinyanghuo C;2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 149182-47-8
FORMULA C20H16O5
EXACTMASS 336.099773622
AVERAGEMASS 336.33804000000003
SMILES c(c12)(ccc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)c2)OC(C=C1)(C)C
M END
