Mol:FL5FACNP0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8976 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8976 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9072 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9072 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2217 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2217 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4896 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4896 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4706 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4706 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1976 0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1976 0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7561 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7561 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5866 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5866 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3225 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3225 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3239 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3239 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6187 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6187 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2217 -1.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2217 -1.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7752 -1.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7752 -1.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0425 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0425 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6733 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6733 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6746 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6746 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0399 1.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0399 1.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7544 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7544 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6187 -1.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6187 -1.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0370 0.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0370 0.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0425 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0425 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6733 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6733 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3891 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3891 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3891 0.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3891 0.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3636 1.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3636 1.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7100 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7100 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1791 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1791 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8936 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8936 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6080 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6080 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3225 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3225 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3225 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3225 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0370 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0370 -0.1647 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 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 7 1 0 0 0 0 | + | 18 7 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 9 20 1 0 0 0 0 | + | 9 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNP0006 | + | ID FL5FACNP0006 |
| − | KNApSAcK_ID C00013539 | + | KNApSAcK_ID C00013539 |
| − | NAME Petalopurpurenol;(-)-3,5,7-Trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-4H-1-benzopyran-4-one | + | NAME Petalopurpurenol;(-)-3,5,7-Trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-4H-1-benzopyran-4-one |
| − | CAS_RN 173221-05-1 | + | CAS_RN 173221-05-1 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES c(c12)(C(O4)=C(O)C(c(c43)c(cc(c3)O)O)=O)ccc(c1OC(CCC=C(C)C)(C)C=C2)O | + | SMILES c(c12)(C(O4)=C(O)C(c(c43)c(cc(c3)O)O)=O)ccc(c1OC(CCC=C(C)C)(C)C=C2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-2.8976 -0.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9072 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2217 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4896 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4706 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1976 0.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7561 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5866 0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3225 0.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3239 -0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6187 -1.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2217 -1.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7752 -1.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0425 0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 0.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6746 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0399 1.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7544 1.4485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6187 -1.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0370 0.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0425 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3891 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3891 0.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3636 1.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7100 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1791 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8936 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6080 -0.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3225 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3225 -1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0370 -0.1647 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 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
3 12 2 0 0 0 0
4 13 1 0 0 0 0
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 7 1 0 0 0 0
11 19 1 0 0 0 0
9 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 15 1 0 0 0 0
16 25 1 0 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
S SKP 8
ID FL5FACNP0006
KNApSAcK_ID C00013539
NAME Petalopurpurenol;(-)-3,5,7-Trihydroxy-2-[8-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-5-yl]-4H-1-benzopyran-4-one
CAS_RN 173221-05-1
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES c(c12)(C(O4)=C(O)C(c(c43)c(cc(c3)O)O)=O)ccc(c1OC(CCC=C(C)C)(C)C=C2)O
M END
