Mol:FL5FA9NP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7463 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7463 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7559 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7559 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0563 -1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0563 -1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6698 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6698 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6789 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6789 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0463 0.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0463 0.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3934 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3934 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4467 0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4467 0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1749 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1749 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1726 -1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1726 -1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4711 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4711 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0563 -2.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0563 -2.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3842 -1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3842 -1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1079 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1079 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8223 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8223 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8223 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8223 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1079 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1079 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3934 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3934 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4711 -2.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4711 -2.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5368 -0.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5368 -0.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2513 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2513 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2513 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2513 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5368 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5368 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5335 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5335 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0638 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0638 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7752 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7752 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4467 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4467 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1612 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1612 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1612 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1612 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8757 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8757 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4467 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4467 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9203 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9203 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6348 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6348 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3493 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3493 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3493 -2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3493 -2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0638 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0638 -1.1836 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 |
| − | 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 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 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 7 14 2 0 0 0 0 | + | 7 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 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 7 1 0 0 0 0 | + | 18 7 1 0 0 0 0 |
| − | 11 19 1 0 0 0 0 | + | 11 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 16 1 0 0 0 0 | + | 23 16 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 9 26 1 0 0 0 0 | + | 9 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 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 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 10 32 1 0 0 0 0 | + | 10 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9NP0003 | + | ID FL5FA9NP0003 |
| − | KNApSAcK_ID C00013537 | + | KNApSAcK_ID C00013537 |
| − | NAME Dorsilurin C;2-(2,2-Dimethyl-2H-1-benzopyran-7-yl)-3,5,7-trihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Dorsilurin C;2-(2,2-Dimethyl-2H-1-benzopyran-7-yl)-3,5,7-trihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 254101-15-0 | + | CAS_RN 254101-15-0 |
| − | FORMULA C30H32O6 | + | FORMULA C30H32O6 |
| − | EXACTMASS 488.219888756 | + | EXACTMASS 488.219888756 |
| − | AVERAGEMASS 488.57148 | + | AVERAGEMASS 488.57148 |
| − | SMILES c(CC=C(C)C)(c(O)1)c(O)c(C(=O)2)c(OC(c(c4)cc(c3c4)OC(C)(C)C=C3)=C2O)c1CC=C(C)C | + | SMILES c(CC=C(C)C)(c(O)1)c(O)c(C(=O)2)c(OC(c(c4)cc(c3c4)OC(C)(C)C=C3)=C2O)c1CC=C(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/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.7463 -1.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0563 -1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6698 -1.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6789 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0463 0.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3934 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4467 0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1749 -0.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1726 -1.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4711 -1.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0563 -2.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3842 -1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1079 -0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8223 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8223 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1079 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3934 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4711 -2.2162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5368 -0.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2513 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2513 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5368 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5335 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0638 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7752 0.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4467 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1612 1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1612 2.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8757 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4467 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9203 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6348 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3493 -1.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3493 -2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0638 -1.1836 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
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
7 5 1 0 0 0 0
2 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 1 2 0 0 0 0
3 12 2 0 0 0 0
4 13 1 0 0 0 0
7 14 2 0 0 0 0
14 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 7 1 0 0 0 0
11 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 16 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
9 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
10 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL5FA9NP0003
KNApSAcK_ID C00013537
NAME Dorsilurin C;2-(2,2-Dimethyl-2H-1-benzopyran-7-yl)-3,5,7-trihydroxy-6,8-bis(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 254101-15-0
FORMULA C30H32O6
EXACTMASS 488.219888756
AVERAGEMASS 488.57148
SMILES c(CC=C(C)C)(c(O)1)c(O)c(C(=O)2)c(OC(c(c4)cc(c3c4)OC(C)(C)C=C3)=C2O)c1CC=C(C)C
M END
