Mol:FL3FRNNR0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8161 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8161 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8161 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8161 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5306 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5306 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5306 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5306 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1017 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1017 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6128 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6128 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6128 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6128 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1017 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1017 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1017 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1017 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2451 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2451 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2451 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2451 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5306 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5306 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3273 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3273 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0418 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0418 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0418 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0418 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3273 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3273 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7562 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7562 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7562 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7562 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0418 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0418 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3273 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3273 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7163 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7163 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3263 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3263 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7591 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7591 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7591 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7591 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6084 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6084 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3985 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3985 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3985 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3985 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8939 0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8939 0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6084 -0.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6084 -0.2859 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 |
| − | 11 28 1 0 0 0 0 | + | 11 28 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNR0001 | + | ID FL3FRNNR0001 |
| − | KNApSAcK_ID C00013476 | + | KNApSAcK_ID C00013476 |
| − | NAME Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one | + | NAME Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one |
| − | CAS_RN 502718-04-9 | + | CAS_RN 502718-04-9 |
| − | FORMULA C22H20O7 | + | FORMULA C22H20O7 |
| − | EXACTMASS 396.120902994 | + | EXACTMASS 396.120902994 |
| − | AVERAGEMASS 396.39 | + | AVERAGEMASS 396.39 |
| − | SMILES C(O4)(c21)=C(C(=O)c(c43)c(cc(c3)OC)O)CC(c1c(c(OC)cc2O)O)C(C)=C | + | SMILES C(O4)(c21)=C(C(=O)c(c43)c(cc(c3)OC)O)CC(c1c(c(OC)cc2O)O)C(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/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.8161 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5306 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5306 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6128 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6128 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1017 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2451 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2451 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5306 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3273 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0418 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0418 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3273 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7562 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7562 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0418 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3273 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7163 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3263 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7591 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7591 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6084 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3985 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3985 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8939 0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6084 -0.2859 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
11 28 1 0 0 0 0
20 21 1 0 0 0 0
18 26 1 0 0 0 0
17 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
26 27 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL3FRNNR0001
KNApSAcK_ID C00013476
NAME Artoindonesianin S;5,6-Dihydro-1,4,8-trihydroxy-3,10-dimethoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one
CAS_RN 502718-04-9
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES C(O4)(c21)=C(C(=O)c(c43)c(cc(c3)OC)O)CC(c1c(c(OC)cc2O)O)C(C)=C
M END
