Mol:FL2FALNP0006
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3846 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3846 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3846 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3846 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8283 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8283 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2720 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2720 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2720 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2720 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8283 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8283 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2844 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2844 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8407 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8407 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8407 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8407 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2844 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2844 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3967 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3967 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9637 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9637 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5307 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5307 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5307 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5307 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9637 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9637 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3967 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3967 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2844 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2844 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8283 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8283 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0975 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0975 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8283 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8283 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3843 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3843 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3843 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3843 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9404 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9404 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8283 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8283 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8299 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8299 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9409 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9409 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4972 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4972 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4972 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4972 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9409 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9409 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0333 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0333 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0975 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0975 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 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 2 1 0 0 0 0 | + | 29 2 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0006 | + | ID FL2FALNP0006 |
| − | KNApSAcK_ID C00008359 | + | KNApSAcK_ID C00008359 |
| − | NAME Flemichin D | + | NAME Flemichin D |
| − | CAS_RN 57096-07-8 | + | CAS_RN 57096-07-8 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(O3)(c(C(CC(c(c4)c(O)cc(O)c4)3)=O)2)c(CC=C(C)C)c(O1)c(c2O)C=CC1(C)C | + | SMILES c(O3)(c(C(CC(c(c4)c(O)cc(O)c4)3)=O)2)c(CC=C(C)C)c(O1)c(c2O)C=CC1(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.3846 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3846 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2720 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2720 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2844 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8407 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2844 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3967 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5307 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5307 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3967 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2844 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0975 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3843 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3843 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9404 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8283 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8299 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4972 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9409 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0333 -0.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0975 -0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
3 18 1 0 0 0 0
14 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
16 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 2 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0006
KNApSAcK_ID C00008359
NAME Flemichin D
CAS_RN 57096-07-8
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(O3)(c(C(CC(c(c4)c(O)cc(O)c4)3)=O)2)c(CC=C(C)C)c(O1)c(c2O)C=CC1(C)C
M END
