Mol:FL5FADNI0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1318 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1318 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1318 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0192 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0192 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0192 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0192 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0934 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0934 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0934 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0934 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5371 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5371 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7834 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7834 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7834 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7834 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2165 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2165 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6495 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6495 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6732 -1.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6732 -1.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5755 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5755 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7834 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7834 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6879 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6879 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2428 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2428 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3503 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3503 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7965 -1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7965 -1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6879 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6879 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4999 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4999 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9413 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9413 2.6397 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 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 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 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 2.4999 1.7424 | + | M SVB 1 29 2.4999 1.7424 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADNI0001 | + | ID FL5FADNI0001 |
| − | KNApSAcK_ID C00005013 | + | KNApSAcK_ID C00005013 |
| − | NAME Gancaonin P 3'methyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Gancaonin P 3'methyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 151776-21-5 | + | CAS_RN 151776-21-5 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES C(c(c3O)c(O)cc(c31)OC(c(c2)cc(c(O)c2)OC)=C(C1=O)O)C=C(C)C | + | SMILES C(c(c3O)c(O)cc(c31)OC(c(c2)cc(c(O)c2)OC)=C(C1=O)O)C=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/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.1318 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0934 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5371 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2165 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6495 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6732 -1.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5755 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7834 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2428 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 -0.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7965 -1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6879 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9413 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
1 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 2.4999 1.7424
S SKP 8
ID FL5FADNI0001
KNApSAcK_ID C00005013
NAME Gancaonin P 3'methyl ether;3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 151776-21-5
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES C(c(c3O)c(O)cc(c31)OC(c(c2)cc(c(O)c2)OC)=C(C1=O)O)C=C(C)C
M END
