Mol:FL5FACNP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3482 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3482 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3578 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3578 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3276 0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3276 0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3518 2.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3518 2.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7932 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7932 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0371 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0371 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7745 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7745 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7745 1.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7745 1.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0693 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0693 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3276 -0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3276 -0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5068 1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5068 1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2225 2.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2225 2.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2239 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2239 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5095 3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5095 3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7950 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7950 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9383 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9383 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9128 3.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9128 3.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0133 3.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0133 3.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7253 3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7253 3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4851 2.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4851 2.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5094 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5094 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5094 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5094 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2239 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2239 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9383 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9383 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2239 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2239 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5094 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5094 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5094 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5094 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7950 -3.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7950 -3.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7950 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7950 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0805 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0805 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0693 -0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0693 -0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0805 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0805 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0805 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0805 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7950 0.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7950 0.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5091 3.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5091 3.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9216 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9216 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3341 3.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3341 3.1670 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 4 2 1 0 0 0 0 | + | 4 2 1 0 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 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 1 2 0 0 0 0 | + | 9 1 2 0 0 0 0 |
| − | 3 10 2 0 0 0 0 | + | 3 10 2 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 5 1 0 0 0 0 | + | 15 5 1 0 0 0 0 |
| − | 16 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 20 7 1 0 0 0 0 | + | 20 7 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 9 31 1 0 0 0 0 | + | 9 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 4 1 0 0 0 0 | + | 33 4 1 0 0 0 0 |
| − | 33 5 1 0 0 0 0 | + | 33 5 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 19 35 1 0 0 0 0 | + | 19 35 1 0 0 0 0 |
| − | 35 20 1 0 0 0 0 | + | 35 20 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNP0007 | + | ID FL5FACNP0007 |
| − | KNApSAcK_ID C00013540 | + | KNApSAcK_ID C00013540 |
| − | NAME Dorsmanin C;2-(3,4-Dihydroxyphenyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME Dorsmanin C;2-(3,4-Dihydroxyphenyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 211307-52-7 | + | CAS_RN 211307-52-7 |
| − | FORMULA C30H32O7 | + | FORMULA C30H32O7 |
| − | EXACTMASS 504.214803378 | + | EXACTMASS 504.214803378 |
| − | AVERAGEMASS 504.57088 | + | AVERAGEMASS 504.57088 |
| − | SMILES C(=C4)c(c3OC4(C)C)c(c(c(c3CC=C(CCC=C(C)C)C)O)1)OC(c(c2)ccc(O)c2O)=C(O)C1=O | + | SMILES C(=C4)c(c3OC4(C)C)c(c(c(c3CC=C(CCC=C(C)C)C)O)1)OC(c(c2)ccc(O)c2O)=C(O)C1=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/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.3482 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3578 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 0.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3518 2.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7932 2.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0371 2.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7745 1.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7745 1.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3276 -0.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2225 2.3370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2239 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5095 3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 3.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9383 1.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9128 3.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0133 3.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7253 3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4851 2.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5094 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5094 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2239 -0.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9383 -0.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2239 -1.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5094 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5094 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7950 -3.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7950 -3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0805 -2.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0693 -0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0805 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0805 1.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 0.6887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5091 3.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9216 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3341 3.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
4 2 1 0 0 0 0
2 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 1 2 0 0 0 0
3 10 2 0 0 0 0
5 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 5 1 0 0 0 0
16 12 1 0 0 0 0
13 17 1 0 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
20 7 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
9 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 2 0 0 0 0
33 4 1 0 0 0 0
33 5 1 0 0 0 0
32 34 1 0 0 0 0
19 35 1 0 0 0 0
35 20 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
S SKP 8
ID FL5FACNP0007
KNApSAcK_ID C00013540
NAME Dorsmanin C;2-(3,4-Dihydroxyphenyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-3,5-dihydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 211307-52-7
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES C(=C4)c(c3OC4(C)C)c(c(c(c3CC=C(CCC=C(C)C)C)O)1)OC(c(c2)ccc(O)c2O)=C(O)C1=O
M END
