Mol:FL2F19NC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4107 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4107 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4107 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4107 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1456 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1456 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7019 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7019 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7019 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7019 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1456 -0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1456 -0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2580 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2580 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8250 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8250 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3919 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3919 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3919 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3919 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8250 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8250 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2580 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2580 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1456 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1456 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7019 0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7019 0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9670 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9670 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5233 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5233 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5233 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5233 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9670 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9670 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1006 0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1006 0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7394 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7394 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0007 -0.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0007 -0.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8393 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8393 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3167 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3167 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8730 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8730 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3919 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3919 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5319 0.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5319 0.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5865 1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5865 1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0101 1.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0101 1.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4838 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4838 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0128 1.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0128 1.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0128 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0128 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4511 1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4511 1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3415 0.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 0.8263 0.0000 H 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 6 0 0 0 | + | 5 7 1 6 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 7 1 0 0 0 0 | + | 12 7 1 0 0 0 0 |
| − | 3 13 2 0 0 0 0 | + | 3 13 2 0 0 0 0 |
| − | 5 14 1 1 0 0 0 | + | 5 14 1 1 0 0 0 |
| − | 2 15 1 0 0 0 0 | + | 2 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 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 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 20 25 1 1 0 0 0 | + | 20 25 1 1 0 0 0 |
| − | 19 26 1 1 0 0 0 | + | 19 26 1 1 0 0 0 |
| − | 22 27 1 1 0 0 0 | + | 22 27 1 1 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 22 33 1 0 0 0 0 | + | 22 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NC0001 | + | ID FL2F19NC0001 |
| − | KNApSAcK_ID C00008373 | + | KNApSAcK_ID C00008373 |
| − | NAME Purpurin | + | NAME Purpurin |
| − | CAS_RN 75775-33-6 | + | CAS_RN 75775-33-6 |
| − | FORMULA C23H22O6 | + | FORMULA C23H22O6 |
| − | EXACTMASS 394.141638436 | + | EXACTMASS 394.141638436 |
| − | AVERAGEMASS 394.41718000000003 | + | AVERAGEMASS 394.41718000000003 |
| − | SMILES c(c5)ccc(c5)C(O4)(CC(=O)c(c41)ccc(O3)c1C(C32[H])([H])C(OC(C)=O)([H])C(O2)(C)C)[H] | + | SMILES c(c5)ccc(c5)C(O4)(CC(=O)c(c41)ccc(O3)c1C(C32[H])([H])C(OC(C)=O)([H])C(O2)(C)C)[H] |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-0.4107 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4107 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1456 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1456 -0.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2580 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8250 -0.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3919 -0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3919 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8250 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2580 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1456 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 0.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9670 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5233 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5233 -1.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9670 -1.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1006 0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7394 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0007 -0.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8393 0.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3167 1.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8730 1.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3919 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5319 0.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5865 1.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0101 1.9205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4838 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0128 1.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0128 2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4511 1.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 0.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 6 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
3 13 2 0 0 0 0
5 14 1 1 0 0 0
2 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 1 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 16 1 0 0 0 0
19 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 20 1 0 0 0 0
20 25 1 1 0 0 0
19 26 1 1 0 0 0
22 27 1 1 0 0 0
23 28 1 0 0 0 0
23 29 1 0 0 0 0
27 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
22 33 1 0 0 0 0
S SKP 8
ID FL2F19NC0001
KNApSAcK_ID C00008373
NAME Purpurin
CAS_RN 75775-33-6
FORMULA C23H22O6
EXACTMASS 394.141638436
AVERAGEMASS 394.41718000000003
SMILES c(c5)ccc(c5)C(O4)(CC(=O)c(c41)ccc(O3)c1C(C32[H])([H])C(OC(C)=O)([H])C(O2)(C)C)[H]
M END
