Mol:FL4DDANS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2001 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2001 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.1166 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6373 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6373 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7205 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7205 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0060 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0060 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7205 0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7205 0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1335 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1335 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4190 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4190 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2819 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2819 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7148 -2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7148 -2.2132 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 8 23 1 1 0 0 0 | + | 8 23 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 0.2819 -1.3118 | + | M SVB 3 25 0.2819 -1.3118 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.1335 -0.9329 | + | M SVB 2 23 -2.1335 -0.9329 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 2.006 1.3449 | + | M SVB 1 21 2.006 1.3449 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DDANS0003 | + | ID FL4DDANS0003 |
| − | KNApSAcK_ID C00008560 | + | KNApSAcK_ID C00008560 |
| − | NAME 7-Hydroxy-3,5,4'-trimethoxyflavanone | + | NAME 7-Hydroxy-3,5,4'-trimethoxyflavanone |
| − | CAS_RN 148645-97-0 | + | CAS_RN 148645-97-0 |
| − | FORMULA C18H18O6 | + | FORMULA C18H18O6 |
| − | EXACTMASS 330.110338308 | + | EXACTMASS 330.110338308 |
| − | AVERAGEMASS 330.33191999999997 | + | AVERAGEMASS 330.33191999999997 |
| − | SMILES O(c12)[C@H](c(c3)ccc(OC)c3)[C@H](C(c(c(OC)cc(O)c2)1)=O)OC | + | SMILES O(c12)[C@H](c(c3)ccc(OC)c3)[C@H](C(c(c(OC)cc(O)c2)1)=O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.2001 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.1166 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6374 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6373 -1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 1.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1335 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4190 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 -1.3118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7148 -2.2132 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 6 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
6 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 1 0 0 0
23 24 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 0.2819 -1.3118
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.1335 -0.9329
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 2.006 1.3449
S SKP 8
ID FL4DDANS0003
KNApSAcK_ID C00008560
NAME 7-Hydroxy-3,5,4'-trimethoxyflavanone
CAS_RN 148645-97-0
FORMULA C18H18O6
EXACTMASS 330.110338308
AVERAGEMASS 330.33191999999997
SMILES O(c12)[C@H](c(c3)ccc(OC)c3)[C@H](C(c(c(OC)cc(O)c2)1)=O)OC
M END
