Mol:FL5F9ANI0001
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 |
| − | -2.0292 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0292 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0292 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0292 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4729 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4729 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9166 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9166 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9166 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9166 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4729 -0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4729 -0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3603 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3603 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1960 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1960 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1960 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1960 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3603 -0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3603 -0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3603 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3603 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3190 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3190 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8860 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8860 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8860 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8860 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3190 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3190 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7521 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7521 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4729 -2.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4729 -2.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4528 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4528 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5853 -0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5853 -0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1853 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1853 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1853 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1853 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3804 1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3804 1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3804 2.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3804 2.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9460 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9460 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5853 -1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5853 -1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0620 -1.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0620 -1.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9281 -2.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9281 -2.3073 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 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 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 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 0.4063 -1.4924 | + | M SVB 1 29 0.4063 -1.4924 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F9ANI0001 | + | ID FL5F9ANI0001 |
| − | KNApSAcK_ID C00005030 | + | KNApSAcK_ID C00005030 |
| − | NAME Uralene;2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one | + | NAME Uralene;2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 150853-99-9 | + | CAS_RN 150853-99-9 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES c(c1)c(c(O)c(C3=O)c(OC(=C3OC)c(c2CC=C(C)C)cc(O)c(O)c2)1)O | + | SMILES c(c1)c(c(O)c(C3=O)c(OC(=C3OC)c(c2CC=C(C)C)cc(O)c(O)c2)1)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 30 0 0 0 0 0 0 0 0999 V2000
-2.0292 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0292 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4729 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9166 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9166 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4729 -0.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3603 -1.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1960 -1.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1960 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3603 -0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3603 -2.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3190 -0.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 -0.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3190 0.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4729 -2.2707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4528 0.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5853 -0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1853 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1853 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 1.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 2.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9460 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5853 -1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0620 -1.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9281 -2.3073 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
20 14 1 0 0 0 0
17 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
2 26 1 0 0 0 0
8 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 0.4063 -1.4924
S SKP 8
ID FL5F9ANI0001
KNApSAcK_ID C00005030
NAME Uralene;2-[4,5-Dihydroxy-2-(3-methyl-2-butenyl)phenyl]-5,6-dihydroxy-3-methoxy-4H-1-benzopyran-4-one
CAS_RN 150853-99-9
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES c(c1)c(c(O)c(C3=O)c(OC(=C3OC)c(c2CC=C(C)C)cc(O)c(O)c2)1)O
M END
