Mol:FL5FDDNI0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4991 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4991 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4943 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4943 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8120 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8120 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0808 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0808 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0598 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0598 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7774 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7774 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3342 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3342 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3627 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3627 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1816 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1816 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9142 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9142 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9262 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9262 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2323 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2323 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0783 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0783 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0596 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0596 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3402 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3402 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3408 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3408 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2190 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2190 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7987 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7987 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3598 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3598 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6352 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6352 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7774 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7774 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7721 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7721 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7721 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7721 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3129 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3129 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4918 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4918 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2063 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2063 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9208 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9208 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9208 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9208 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6352 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6352 1.8726 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 10 20 1 0 0 0 0 | + | 10 20 1 0 0 0 0 |
| − | 21 14 1 0 0 0 0 | + | 21 14 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDDNI0006 | + | ID FL5FDDNI0006 |
| − | KNApSAcK_ID C00013526 | + | KNApSAcK_ID C00013526 |
| − | NAME 5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one | + | NAME 5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 200011-31-0 | + | CAS_RN 200011-31-0 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES c(c3O)c(cc(c31)OC(c(c2)cc(OC)c(OCC=C(C)C)c2)=C(OC)C1=O)O | + | SMILES c(c3O)c(cc(c31)OC(c(c2)cc(OC)c(OCC=C(C)C)c2)=C(OC)C1=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-2.4991 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4943 0.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8120 -1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0808 -0.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0598 0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7774 0.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3342 0.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3627 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1816 0.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9142 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9262 -0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2323 -1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0783 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0596 1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3402 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3408 1.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2190 -1.8645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7987 -1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3598 -1.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6352 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7774 1.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7721 -0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3129 -0.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4918 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2063 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9208 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9208 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6352 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
4 19 1 0 0 0 0
10 20 1 0 0 0 0
21 14 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
19 24 1 0 0 0 0
21 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL5FDDNI0006
KNApSAcK_ID C00013526
NAME 5,7-Dihydroxy-3-methoxy-2-[3-methoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-4H-1-benzopyran-4-one
CAS_RN 200011-31-0
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c3O)c(cc(c31)OC(c(c2)cc(OC)c(OCC=C(C)C)c2)=C(OC)C1=O)O
M END
