Mol:FL5FACNP0005
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4796 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4892 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4892 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8038 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8038 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0717 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0717 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0526 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0526 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7796 -0.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7796 -0.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6618 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6618 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1686 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1686 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9045 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9045 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9060 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9060 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2008 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2008 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8038 -2.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8038 -2.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6428 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6428 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3754 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3754 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0912 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0912 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0926 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0926 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6636 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6636 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2008 -2.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2008 -2.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6190 -0.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6190 -0.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1686 0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1686 0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8070 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8070 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8070 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8070 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0926 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0926 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3781 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3781 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8057 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8057 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0919 2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0919 2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6190 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6190 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3520 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3520 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8677 1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8677 1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8782 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8782 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8782 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8782 1.8779 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 |
| − | 9 20 1 0 0 0 0 | + | 9 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 17 1 0 0 0 0 | + | 25 17 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNP0005 | + | ID FL5FACNP0005 |
| − | KNApSAcK_ID C00013538 | + | KNApSAcK_ID C00013538 |
| − | NAME Broussonol A;8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one | + | NAME Broussonol A;8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one |
| − | CAS_RN 339524-98-0 | + | CAS_RN 339524-98-0 |
| − | FORMULA C25H24O7 | + | FORMULA C25H24O7 |
| − | EXACTMASS 436.152203122 | + | EXACTMASS 436.152203122 |
| − | AVERAGEMASS 436.45385999999996 | + | AVERAGEMASS 436.45385999999996 |
| − | SMILES C(C1(C)C)=Cc(c2)c(c(cc2C(O4)=C(O)C(=O)c(c43)c(O)cc(O)c(C(C)(C)C=C)3)O)O1 | + | SMILES C(C1(C)C)=Cc(c2)c(c(cc2C(O4)=C(O)C(=O)c(c43)c(O)cc(O)c(C(C)(C)C=C)3)O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.4796 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0717 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0526 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 -0.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6618 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9045 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9060 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2008 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8038 -2.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6428 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3754 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0912 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0926 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6636 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2008 -2.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6190 -0.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8070 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8070 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0926 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3781 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8057 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0919 2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3520 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8677 1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8782 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8782 1.8779 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
9 20 1 0 0 0 0
8 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 17 1 0 0 0 0
15 26 1 0 0 0 0
23 27 1 0 0 0 0
23 28 1 0 0 0 0
21 29 1 0 0 0 0
21 30 1 0 0 0 0
21 31 1 0 0 0 0
31 32 2 0 0 0 0
S SKP 8
ID FL5FACNP0005
KNApSAcK_ID C00013538
NAME Broussonol A;8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one
CAS_RN 339524-98-0
FORMULA C25H24O7
EXACTMASS 436.152203122
AVERAGEMASS 436.45385999999996
SMILES C(C1(C)C)=Cc(c2)c(c(cc2C(O4)=C(O)C(=O)c(c43)c(O)cc(O)c(C(C)(C)C=C)3)O)O1
M END
