Mol:FL4DBANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8426 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8008 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8008 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8426 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8426 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2409 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2409 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2800 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2800 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8300 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8300 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8300 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8300 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2957 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2957 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7613 -1.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7613 -1.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3635 0.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3635 0.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3635 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3635 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8421 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8421 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3625 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3625 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3217 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3217 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7760 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7760 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0615 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0615 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -8.5066 4.0861 | + | M SBV 1 28 -8.5066 4.0861 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DBANI0001 | + | ID FL4DBANI0001 |
| − | KNApSAcK_ID C00008624 | + | KNApSAcK_ID C00008624 |
| − | NAME 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone | + | NAME 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone |
| − | CAS_RN 204935-85-3 | + | CAS_RN 204935-85-3 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c3)c(ccc(O)3)C(O2)C(C(c(c21)c(cc(O)c1CC=C(C)C)OC)=O)O | + | SMILES c(c3)c(ccc(O)3)C(O2)C(C(c(c21)c(cc(O)c1CC=C(C)C)OC)=O)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.8426 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 -0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 0.9068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 0.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 -1.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 0.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8421 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7760 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0615 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
8 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
5 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
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -8.5066 4.0861
S SKP 8
ID FL4DBANI0001
KNApSAcK_ID C00008624
NAME 5,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone
CAS_RN 204935-85-3
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c3)c(ccc(O)3)C(O2)C(C(c(c21)c(cc(O)c1CC=C(C)C)OC)=O)O
M END
