Mol:FL4DA9NS0010
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 |
| − | -1.6817 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6817 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1608 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1608 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6400 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6400 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6400 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6400 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1608 0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1608 0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6817 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6817 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1191 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1191 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4018 -0.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.4018 -0.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.4018 0.3594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.4018 0.3594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.1191 0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1191 0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1191 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1191 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1608 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1608 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8449 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8449 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9815 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9815 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5102 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5102 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0390 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0390 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0390 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0390 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5102 1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5102 1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9815 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9815 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1217 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1217 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6957 -1.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6957 -1.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8065 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8065 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0390 0.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0390 0.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5390 1.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5390 1.8442 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 8 13 1 1 0 0 0 | + | 8 13 1 1 0 0 0 |
| − | 9 14 1 6 0 0 0 | + | 9 14 1 6 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.039 0.9782 | + | M SVB 1 25 -2.039 0.9782 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0010 | + | ID FL4DA9NS0010 |
| − | KNApSAcK_ID C00008737 | + | KNApSAcK_ID C00008737 |
| − | NAME 3,5-Dihydroxy-7-methoxyflavanone 3-acetate | + | NAME 3,5-Dihydroxy-7-methoxyflavanone 3-acetate |
| − | CAS_RN 139906-49-3 | + | CAS_RN 139906-49-3 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c21)(O)cc(OC)cc(O[C@H](c(c3)cccc3)[C@H](C2=O)OC(C)=O)1 | + | SMILES c(c21)(O)cc(OC)cc(O[C@H](c(c3)cccc3)[C@H](C2=O)OC(C)=O)1 |
M END | M END | ||
| − | |||
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
-1.6817 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6400 -0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6400 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6817 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1191 -0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4018 -0.2420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4018 0.3594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.1191 0.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1191 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 -1.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8449 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9815 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5102 0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0390 0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0390 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5102 1.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9815 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1217 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6957 -1.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8065 -1.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0390 0.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5390 1.8442 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
8 13 1 1 0 0 0
9 14 1 6 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.039 0.9782
S SKP 8
ID FL4DA9NS0010
KNApSAcK_ID C00008737
NAME 3,5-Dihydroxy-7-methoxyflavanone 3-acetate
CAS_RN 139906-49-3
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c21)(O)cc(OC)cc(O[C@H](c(c3)cccc3)[C@H](C2=O)OC(C)=O)1
M END
