Mol:FL2FA9NF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8062 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8062 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7877 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7877 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0105 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0105 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3557 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3557 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3415 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0672 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0672 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3993 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3993 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0731 -0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0731 -0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0638 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0638 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3800 0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3800 0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7783 0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7783 0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4694 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4694 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1807 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1807 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2012 1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2012 1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4895 1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4895 1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7691 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7691 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3992 -2.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3992 -2.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2782 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2782 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1476 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1476 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4740 0.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4740 0.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0105 -2.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0105 -2.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6597 -2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6597 -2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6051 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6051 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4422 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4422 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2012 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2012 1.7673 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NF0001 | + | ID FL2FA9NF0001 |
| − | KNApSAcK_ID C00014207 | + | KNApSAcK_ID C00014207 |
| − | NAME Emoroidenone;5-Methoxy-5''-[2'',3'':7,8]-isopropenyldihydrofuranoflavanone | + | NAME Emoroidenone;5-Methoxy-5''-[2'',3'':7,8]-isopropenyldihydrofuranoflavanone |
| − | CAS_RN 169532-89-2 | + | CAS_RN 169532-89-2 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES O(C3c(c4)cccc4)c(c12)c(C(=O)C3)c(cc1OC(C2)C(C)=C)OC | + | SMILES O(C3c(c4)cccc4)c(c12)c(C(=O)C3)c(cc1OC(C2)C(C)=C)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.8062 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7877 -0.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0105 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3557 -0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 -0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0672 0.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3993 -1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0731 -0.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0638 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3800 0.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7783 0.4079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4694 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1807 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2012 1.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4895 1.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7691 1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3992 -2.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 1.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1476 1.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4740 0.5017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0105 -2.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6597 -2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4422 2.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2012 1.7673 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
4 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 5 1 0 0 0 0
9 11 1 0 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 1 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
19 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL2FA9NF0001
KNApSAcK_ID C00014207
NAME Emoroidenone;5-Methoxy-5''-[2'',3'':7,8]-isopropenyldihydrofuranoflavanone
CAS_RN 169532-89-2
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES O(C3c(c4)cccc4)c(c12)c(C(=O)C3)c(cc1OC(C2)C(C)=C)OC
M END
