Mol:FL1CA9NP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0958 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0958 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0958 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0958 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6521 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6521 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2084 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2084 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2084 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2084 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6521 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6521 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8389 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8389 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3952 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3952 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2828 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2828 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2782 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2782 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2828 -1.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2828 -1.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2782 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2782 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8308 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8308 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3835 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3835 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3835 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3835 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8308 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8308 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8308 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8308 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9360 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9360 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2956 0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2956 0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4873 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4873 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0386 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0386 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4885 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4885 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9360 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9360 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2745 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2745 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2782 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2782 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8308 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8308 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2084 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2084 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8215 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8215 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4403 1.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4403 1.5942 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 13 1 0 0 0 0 | + | 26 13 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0005 | + | ID FL1CA9NP0005 |
| − | KNApSAcK_ID C00007088 | + | KNApSAcK_ID C00007088 |
| − | NAME Flemiculosin | + | NAME Flemiculosin |
| − | CAS_RN 89354-00-7 | + | CAS_RN 89354-00-7 |
| − | FORMULA C25H24O4 | + | FORMULA C25H24O4 |
| − | EXACTMASS 388.167459256 | + | EXACTMASS 388.167459256 |
| − | AVERAGEMASS 388.45565999999997 | + | AVERAGEMASS 388.45565999999997 |
| − | SMILES C(=Cc(c4)cccc4)C(c(c(O)2)c(c1c(O3)c2C=CC3(C)C)OC(C=C1)(C)C)=O | + | SMILES C(=Cc(c4)cccc4)C(c(c(O)2)c(c1c(O3)c2C=CC3(C)C)OC(C=C1)(C)C)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
2.0958 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0958 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6521 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2084 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2084 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6521 0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8389 -0.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 -0.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2828 -0.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2782 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2828 -1.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2782 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3835 -0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 -0.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 -1.5771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 0.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2956 0.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4873 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0386 0.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4885 -0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9360 -0.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2745 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2782 1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8308 0.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2084 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8215 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4403 1.5942 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
17 16 1 0 0 0 0
14 18 1 0 0 0 0
12 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 15 1 0 0 0 0
19 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 13 1 0 0 0 0
20 27 1 0 0 0 0
24 28 1 0 0 0 0
24 29 1 0 0 0 0
S SKP 8
ID FL1CA9NP0005
KNApSAcK_ID C00007088
NAME Flemiculosin
CAS_RN 89354-00-7
FORMULA C25H24O4
EXACTMASS 388.167459256
AVERAGEMASS 388.45565999999997
SMILES C(=Cc(c4)cccc4)C(c(c(O)2)c(c1c(O3)c2C=CC3(C)C)OC(C=C1)(C)C)=O
M END
