Mol:FL3FRNNF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0559 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0559 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0559 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0559 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7704 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7704 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3731 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3731 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4848 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4848 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4848 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4848 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7704 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0875 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0875 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5165 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5165 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5165 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5165 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0875 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0866 0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0866 0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0891 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0891 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2310 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2310 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1993 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1993 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0891 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0891 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9138 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9138 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3731 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9138 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9138 0.2062 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 24 1 0 0 0 0 | + | 11 24 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNF0003 | + | ID FL3FRNNF0003 |
| − | KNApSAcK_ID C00013480 | + | KNApSAcK_ID C00013480 |
| − | NAME Artonin K;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one | + | NAME Artonin K;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one |
| − | CAS_RN 148719-61-3 | + | CAS_RN 148719-61-3 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES c(c45)(C(C(O5)(C)C)3)c(c(O)cc4O)C(O2)=C(C3)C(=O)c(c21)c(cc(OC)c1)O | + | SMILES c(c45)(C(C(O5)(C)C)3)c(c(O)cc4O)C(O2)=C(C3)C(=O)c(c21)c(cc(OC)c1)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/
28 32 0 0 0 0 0 0 0 0999 V2000
-1.0559 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0559 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1993 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9138 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9138 0.2062 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 24 1 0 0 0 0
20 27 1 0 0 0 0
18 23 1 0 0 0 0
17 21 1 0 0 0 0
14 22 1 0 0 0 0
22 21 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
24 28 1 0 0 0 0
S SKP 8
ID FL3FRNNF0003
KNApSAcK_ID C00013480
NAME Artonin K;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-5H,7H-benzofuro[3,4-bc]xanthen-7-one
CAS_RN 148719-61-3
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES c(c45)(C(C(O5)(C)C)3)c(c(O)cc4O)C(O2)=C(C3)C(=O)c(c21)c(cc(OC)c1)O
M END
