Mol:FL2FABNI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.5635 -0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5635 -0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5450 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5450 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7678 -2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7678 -2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1130 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1130 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0988 -0.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0988 -0.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8245 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8245 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3580 -2.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3580 -2.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6842 -1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6842 -1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6935 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6935 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3773 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3773 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0210 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0210 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7121 -0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7121 -0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4235 -0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4235 -0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4439 0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4439 0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7322 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7322 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0118 0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0118 0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3580 -3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3580 -3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2780 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2780 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7678 -3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7678 -3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1584 0.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1584 0.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1379 -0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1379 -0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8480 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8480 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5646 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5646 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5646 -1.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5646 -1.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2780 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2780 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7261 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7261 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7322 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7322 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4920 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4920 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4920 2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4920 2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0633 3.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0633 3.0104 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNI0007 | + | ID FL2FABNI0007 |
| − | KNApSAcK_ID C00014174 | + | KNApSAcK_ID C00014174 |
| − | NAME Burttinonedehydrate;(S)-5,7-Dihydroxy-4'-methoxy-3'-(3-methylbutadienyl)-5'-(3-methylbut-2-enyl)flavanone | + | NAME Burttinonedehydrate;(S)-5,7-Dihydroxy-4'-methoxy-3'-(3-methylbutadienyl)-5'-(3-methylbut-2-enyl)flavanone |
| − | CAS_RN 601470-33-1 | + | CAS_RN 601470-33-1 |
| − | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
| − | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
| − | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
| − | SMILES C(C2=O)C(c(c3)cc(C=CC(C)=C)c(OC)c(CC=C(C)C)3)Oc(c21)cc(O)cc1O | + | SMILES C(C2=O)C(c(c3)cc(C=CC(C)=C)c(OC)c(CC=C(C)C)3)Oc(c21)cc(O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-3.5635 -0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5450 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7678 -2.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1130 -1.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0988 -0.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8245 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3580 -2.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6842 -1.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6935 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3773 -0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0210 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 -0.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4235 -0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4439 0.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 0.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0118 0.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3580 -3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2780 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7678 -3.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1584 0.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1379 -0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8480 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5646 -0.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5646 -1.7556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2780 -0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 0.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7322 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4920 2.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0633 3.0104 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
20 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FABNI0007
KNApSAcK_ID C00014174
NAME Burttinonedehydrate;(S)-5,7-Dihydroxy-4'-methoxy-3'-(3-methylbutadienyl)-5'-(3-methylbut-2-enyl)flavanone
CAS_RN 601470-33-1
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES C(C2=O)C(c(c3)cc(C=CC(C)=C)c(OC)c(CC=C(C)C)3)Oc(c21)cc(O)cc1O
M END
