Mol:FL1DA9NR0012
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 |
| − | -3.9970 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9970 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9970 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9970 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2826 -1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2826 -1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5681 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5681 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5681 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5681 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2826 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2826 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7985 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7985 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0803 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0803 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2906 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2906 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2906 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2906 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4511 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4511 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4511 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4511 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1655 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1655 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8800 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8800 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8800 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8800 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1655 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1655 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1655 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1655 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1708 -1.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1708 -1.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5748 -1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5748 -1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5681 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5681 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2858 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2858 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9970 -0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9970 -0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9907 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9907 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2731 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2731 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5618 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5618 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2676 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2676 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2983 -0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2983 -0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8543 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8543 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7222 -1.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7222 -1.2930 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 |
| − | 5 7 1 0 0 0 0 | + | 5 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 2 0 0 0 0 | + | 9 10 2 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 15 1 6 0 0 0 | + | 20 15 1 6 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 21 27 1 1 0 0 0 | + | 21 27 1 1 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 FL1DA9NR0012 | + | ID FL1DA9NR0012 |
| − | KNApSAcK_ID C00014611 | + | KNApSAcK_ID C00014611 |
| − | NAME (-)-Linderatin; (1S-trans)-3-Phenyl-1-[2,4,6-trihydroxy-3-[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-propanone | + | NAME (-)-Linderatin; (1S-trans)-3-Phenyl-1-[2,4,6-trihydroxy-3-[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-propanone |
| − | CAS_RN 196089-62-0 | + | CAS_RN 196089-62-0 |
| − | FORMULA C25H30O4 | + | FORMULA C25H30O4 |
| − | EXACTMASS 394.21440944799997 | + | EXACTMASS 394.21440944799997 |
| − | AVERAGEMASS 394.50329999999997 | + | AVERAGEMASS 394.50329999999997 |
| − | SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1 | + | SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1 |
M END | M END | ||
| − | |||
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
-3.9970 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9970 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2826 -1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5681 -1.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5681 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2826 -0.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7985 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0803 -0.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2906 -0.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2906 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4511 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4511 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1655 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8800 -1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8800 -0.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1655 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1655 0.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -1.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 -1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5681 -0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2858 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9970 -0.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9907 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2731 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5618 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2676 1.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 -0.9604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8543 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7222 -1.2930 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
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
16 17 1 0 0 0 0
12 18 1 0 0 0 0
14 19 1 0 0 0 0
20 15 1 6 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
24 26 1 0 0 0 0
21 27 1 1 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1DA9NR0012
KNApSAcK_ID C00014611
NAME (-)-Linderatin; (1S-trans)-3-Phenyl-1-[2,4,6-trihydroxy-3-[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-propanone
CAS_RN 196089-62-0
FORMULA C25H30O4
EXACTMASS 394.21440944799997
AVERAGEMASS 394.50329999999997
SMILES O=C(c(c(O)2)c(cc(c(C(C3C(C)C)C=C(C)CC3)2)O)O)CCc(c1)cccc1
M END
