Mol:FL5FACND0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4625 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4625 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4721 -0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4721 -0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7725 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7725 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0465 -1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0465 -1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0373 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0373 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7625 0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7625 0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1630 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1630 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8912 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8912 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8889 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8889 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1874 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1874 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7725 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7725 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6680 -1.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6680 -1.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3916 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3916 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1061 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1061 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1061 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1061 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3916 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3916 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6772 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6772 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1874 -2.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1874 -2.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3219 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3219 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1483 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1483 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5001 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5001 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4852 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4852 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0014 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0014 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6720 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6720 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7314 -0.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7314 -0.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8206 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8206 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8206 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8206 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1061 2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1061 2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3916 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3916 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4361 2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4361 2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5001 1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5001 1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 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 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 7 1 0 0 0 0 | + | 18 7 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 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 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 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 17 1 0 0 0 0 | + | 30 17 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACND0001 | + | ID FL5FACND0001 |
| − | KNApSAcK_ID C00013536 | + | KNApSAcK_ID C00013536 |
| − | NAME Broussonol B;8,9-Dihydro-3,5-dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Broussonol B;8,9-Dihydro-3,5-dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 370563-80-7 | + | CAS_RN 370563-80-7 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES C(C(C)5)(c(c4O5)c(c3c(O)c4)OC(=C(C(=O)3)O)c(c2)cc(c(c2O)1)C=CC(O1)(C)C)(C)C | + | SMILES C(C(C)5)(c(c4O5)c(c3c(O)c4)OC(=C(C(=O)3)O)c(c2)cc(c(c2O)1)C=CC(O1)(C)C)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.4625 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4721 -0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7725 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 -1.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0373 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7625 0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1630 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8912 -0.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8889 -1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1874 -1.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7725 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6680 -1.6635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 -0.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 1.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6772 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1874 -2.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3219 0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1483 0.9038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5001 0.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4852 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0014 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6720 0.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 -0.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1061 2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3916 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4361 2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5001 1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
7 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
3 12 2 0 0 0 0
4 13 1 0 0 0 0
7 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 7 1 0 0 0 0
11 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 9 1 0 0 0 0
21 23 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 17 1 0 0 0 0
28 31 1 0 0 0 0
28 32 1 0 0 0 0
S SKP 8
ID FL5FACND0001
KNApSAcK_ID C00013536
NAME Broussonol B;8,9-Dihydro-3,5-dihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 370563-80-7
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES C(C(C)5)(c(c4O5)c(c3c(O)c4)OC(=C(C(=O)3)O)c(c2)cc(c(c2O)1)C=CC(O1)(C)C)(C)C
M END
