Mol:FL3FRNNP0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1296 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1296 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1296 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1296 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8441 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8441 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8441 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8441 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4152 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4152 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4152 -0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4152 -0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4152 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4152 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5586 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5586 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5586 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5586 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8441 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8441 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0138 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0138 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7283 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7283 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7283 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7283 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0138 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0138 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4427 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4427 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4427 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4427 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7283 1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7283 1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0138 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0138 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0128 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0128 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1572 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1572 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1572 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1572 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4427 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4427 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7283 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7283 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6256 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6256 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7839 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7839 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4948 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4948 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4948 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4948 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1439 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1439 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1994 -0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 -0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7839 -0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7839 -0.4079 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 11 2 0 0 0 0 | + | 3 11 2 0 0 0 0 |
| − | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 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 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 11 32 1 0 0 0 0 | + | 11 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNP0005 | + | ID FL3FRNNP0005 |
| − | KNApSAcK_ID C00013490 | + | KNApSAcK_ID C00013490 |
| − | NAME Artonol E;6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one | + | NAME Artonol E;6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one |
| − | CAS_RN 186824-61-3 | + | CAS_RN 186824-61-3 |
| − | FORMULA C26H24O7 | + | FORMULA C26H24O7 |
| − | EXACTMASS 448.152203122 | + | EXACTMASS 448.152203122 |
| − | AVERAGEMASS 448.46456 | + | AVERAGEMASS 448.46456 |
| − | SMILES Oc(c1)c(C(=O)5)c(OC(=C45)c(c(O)3)c(C(C4)C(C)=C)c(c(c32)OC(C=C2)(C)C)O)cc(OC)1 | + | SMILES Oc(c1)c(C(=O)5)c(OC(=C45)c(c(O)3)c(C(C4)C(C)=C)c(c(c32)OC(C=C2)(C)C)O)cc(OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-1.1296 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 -0.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 -0.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4152 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5586 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5586 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8441 -2.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0138 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 -1.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 -0.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0138 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 -0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 1.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0138 0.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0128 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 1.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 2.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7283 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6256 2.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7839 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4948 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4948 -2.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1439 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1994 -0.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7839 -0.4079 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 11 2 0 0 0 0
10 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
5 9 2 0 0 0 0
11 10 1 0 0 0 0
4 12 1 0 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 7 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
20 22 1 0 0 0 0
17 21 1 0 0 0 0
18 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 19 1 0 0 0 0
24 27 1 0 0 0 0
24 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 2 0 0 0 0
29 31 1 0 0 0 0
11 32 1 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL3FRNNP0005
KNApSAcK_ID C00013490
NAME Artonol E;6,7-Dihydro-5,9,14-trihydroxy-11-methoxy-3,3-dimethyl-6-(1-methylethenyl)-3H,8H-[1]benzopyrano[7,6-c]xanthen-8-one
CAS_RN 186824-61-3
FORMULA C26H24O7
EXACTMASS 448.152203122
AVERAGEMASS 448.46456
SMILES Oc(c1)c(C(=O)5)c(OC(=C45)c(c(O)3)c(C(C4)C(C)=C)c(c(c32)OC(C=C2)(C)C)O)cc(OC)1
M END
