Mol:FL4DALNI0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 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 |
| − | 3 33 1 0 0 0 0 | + | 3 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 35 38 1 0 0 0 0 | + | 35 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNI0012 | + | ID FL4DALNI0012 |
| − | KNApSAcK_ID C00014389 | + | KNApSAcK_ID C00014389 |
| − | NAME Kosamol A;3,5,7,2',4'-Pentahydroxy-6-(3-hydroxy-3-methylbutyl)-8-lavandulylflavanone | + | NAME Kosamol A;3,5,7,2',4'-Pentahydroxy-6-(3-hydroxy-3-methylbutyl)-8-lavandulylflavanone |
| − | CAS_RN 182556-80-5 | + | CAS_RN 182556-80-5 |
| − | FORMULA C30H38O8 | + | FORMULA C30H38O8 |
| − | EXACTMASS 526.256668192 | + | EXACTMASS 526.256668192 |
| − | AVERAGEMASS 526.61792 | + | AVERAGEMASS 526.61792 |
| − | SMILES c(c1)(cc(O)c(C(C3O)Oc(c2CC(C(C)=C)CC=C(C)C)c(C3=O)c(O)c(CCC(C)(C)O)c(O)2)c1)O | + | SMILES c(c1)(cc(O)c(C(C3O)Oc(c2CC(C(C)=C)CC=C(C)C)c(C3=O)c(O)c(CCC(C)(C)O)c(O)2)c1)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/
38 40 0 0 0 0 0 0 0 0999 V2000
-1.4348 -0.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4436 -1.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7307 -1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0152 -1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0039 -0.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6979 -1.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4228 -0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7162 0.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1446 0.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1535 0.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8727 1.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5810 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5747 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 -0.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6830 -2.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7457 -2.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1417 0.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 -1.5461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3028 1.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7147 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3948 1.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6972 2.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0251 0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.2459 -1.9175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
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3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
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7 8 1 0 0 0 0
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9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
8 20 1 1 0 0 0
1 19 1 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
24 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
3 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
35 38 1 0 0 0 0
S SKP 8
ID FL4DALNI0012
KNApSAcK_ID C00014389
NAME Kosamol A;3,5,7,2',4'-Pentahydroxy-6-(3-hydroxy-3-methylbutyl)-8-lavandulylflavanone
CAS_RN 182556-80-5
FORMULA C30H38O8
EXACTMASS 526.256668192
AVERAGEMASS 526.61792
SMILES c(c1)(cc(O)c(C(C3O)Oc(c2CC(C(C)=C)CC=C(C)C)c(C3=O)c(O)c(CCC(C)(C)O)c(O)2)c1)O
M END
