Mol:FL2FADNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5417 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5417 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5417 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5408 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5408 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5408 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 -0.1480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.5399 -0.1480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.0404 0.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0404 0.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0398 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9889 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9889 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4746 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4746 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0398 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0398 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5399 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5399 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0413 -1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0413 -1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0418 0.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0418 0.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8833 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8833 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8549 1.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8549 1.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5021 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5021 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0154 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0154 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0418 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5286 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5286 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7312 1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7312 1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1473 2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1473 2.5016 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 29 0.7312 1.5923 | + | M SVB 1 29 0.7312 1.5923 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADNI0001 | + | ID FL2FADNI0001 |
| − | KNApSAcK_ID C00000996 | + | KNApSAcK_ID C00000996 |
| − | NAME 5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II | + | NAME 5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II |
| − | CAS_RN 671781-82-1 | + | CAS_RN 671781-82-1 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES C(=O)(c23)C[C@](Oc(cc(cc(O)3)O)2)(c(c1)cc(c(O)c(OC)1)CC=C(C)C)[H] | + | SMILES C(=O)(c23)C[C@](Oc(cc(cc(O)3)O)2)(c(c1)cc(c(O)c(OC)1)CC=C(C)C)[H] |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.5417 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5417 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5408 -0.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 0.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 -0.1480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.0404 0.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 -0.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4746 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0398 0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5399 0.5326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0418 0.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8549 1.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5286 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7312 1.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1473 2.5016 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
9 17 1 1 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
7 20 2 0 0 0 0
14 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 0.7312 1.5923
S SKP 8
ID FL2FADNI0001
KNApSAcK_ID C00000996
NAME 5'-Prenylhomoeriodictyol;Abyssinin II;Abyssinoflavanone II
CAS_RN 671781-82-1
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES C(=O)(c23)C[C@](Oc(cc(cc(O)3)O)2)(c(c1)cc(c(O)c(OC)1)CC=C(C)C)[H]
M END
