Mol:FL3FRNNF0005
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
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| − | -1.0559 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0559 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7704 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7704 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3731 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3731 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3414 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3414 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4848 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4848 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4848 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4848 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7704 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7704 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0875 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0875 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5165 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5165 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5165 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5165 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8020 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8020 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0875 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0875 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0866 -0.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0866 -0.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0891 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0891 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2310 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2310 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1993 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1993 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0891 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0891 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9138 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9138 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3731 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3731 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.5590 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5590 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2420 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2420 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.2420 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2420 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9138 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9138 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
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| − | 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 |
| − | 19 28 1 0 0 0 0 | + | 19 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 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNF0005 | + | ID FL3FRNNF0005 |
| − | KNApSAcK_ID C00013482 | + | KNApSAcK_ID C00013482 |
| − | NAME Artonin T;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one | + | NAME Artonin T;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one |
| − | CAS_RN 161017-03-4 | + | CAS_RN 161017-03-4 |
| − | FORMULA C26H26O7 | + | FORMULA C26H26O7 |
| − | EXACTMASS 450.167853186 | + | EXACTMASS 450.167853186 |
| − | AVERAGEMASS 450.48043999999993 | + | AVERAGEMASS 450.48043999999993 |
| − | SMILES C(C)(C)=CCc(c5O)c(c(C=13)c(c45)C(C(O4)(C)C)CC(C(c(c(O3)2)c(O)cc(OC)c2)=O)1)O | + | SMILES C(C)(C)=CCc(c5O)c(c(C=13)c(c45)C(C(O4)(C)C)CC(C(c(c(O3)2)c(O)cc(OC)c2)=O)1)O |
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
-1.0559 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0559 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3414 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 -2.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 -0.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8020 1.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 0.7116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 -0.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1993 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0891 -2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9138 -1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3731 1.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7855 2.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5590 2.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2420 2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 2.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2420 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9138 -0.5259 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
19 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
24 33 1 0 0 0 0
S SKP 8
ID FL3FRNNF0005
KNApSAcK_ID C00013482
NAME Artonin T;5a,6-Dihydro-1,3,8-trihydroxy-10-methoxy-5,5-dimethyl-2-(3-methyl-2-butenyl)-5H,7H-benzofuro[3,4-bc]xanthen-7-one
CAS_RN 161017-03-4
FORMULA C26H26O7
EXACTMASS 450.167853186
AVERAGEMASS 450.48043999999993
SMILES C(C)(C)=CCc(c5O)c(c(C=13)c(c45)C(C(O4)(C)C)CC(C(c(c(O3)2)c(O)cc(OC)c2)=O)1)O
M END
