Mol:FL5FAANR0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.4371 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4371 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1225 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1225 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8546 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8546 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8737 1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8737 1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1467 1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1467 1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5881 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5881 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.1225 -0.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1225 -0.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5691 0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5691 0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3017 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3017 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0175 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0175 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0188 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0188 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3044 3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3044 3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5899 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5899 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7255 -0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7255 -0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.4946 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4946 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.7801 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7801 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9235 -0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9235 -0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6380 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6380 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6380 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6380 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9235 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9235 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1775 -1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1775 -1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.2249 -3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2249 -3.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5924 -3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5924 -3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 9 21 1 0 0 0 0 | + | 9 21 1 0 0 0 0 |
| − | 10 22 1 0 0 0 0 | + | 10 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 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 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 30 1 0 0 0 0 | + | 37 30 1 0 0 0 0 |
| − | 33 38 2 0 0 0 0 | + | 33 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 29 41 1 0 0 0 0 | + | 29 41 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANR0001 | + | ID FL5FAANR0001 |
| − | KNApSAcK_ID C00013542 | + | KNApSAcK_ID C00013542 |
| − | NAME Denticulaflavonol;(-)-6-[(2E)-5-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Denticulaflavonol;(-)-6-[(2E)-5-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 443776-53-2 | + | CAS_RN 443776-53-2 |
| − | FORMULA C35H42O6 | + | FORMULA C35H42O6 |
| − | EXACTMASS 558.298139076 | + | EXACTMASS 558.298139076 |
| − | AVERAGEMASS 558.70438 | + | AVERAGEMASS 558.70438 |
| − | SMILES c(C(O2)=C(C(c(c(O)3)c2cc(c3CC=C(C)CCC(C5(C)4)C(=C)CCC4C(CCC5)(C)C)O)=O)O)(c1)ccc(c1)O | + | SMILES c(C(O2)=C(C(c(c(O)3)c2cc(c3CC=C(C)CCC(C5(C)4)C(=C)CCC4C(CCC5)(C)C)O)=O)O)(c1)ccc(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/
41 45 0 0 0 0 0 0 0 0999 V2000
1.4466 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4371 1.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1225 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8546 0.6635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8737 1.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1467 1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5881 1.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7577 1.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0217 1.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0203 0.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1225 -0.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5691 0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3017 1.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0175 1.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0188 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3044 3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5899 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7255 -0.5747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6380 3.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6710 1.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3773 0.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7526 0.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4946 0.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.2091 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2091 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4946 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7801 -2.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7801 -1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.5924 -3.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2091 -0.6365 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
16 20 1 0 0 0 0
9 21 1 0 0 0 0
10 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
29 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 30 1 0 0 0 0
33 38 2 0 0 0 0
37 39 1 0 0 0 0
37 40 1 0 0 0 0
29 41 1 0 0 0 0
S SKP 8
ID FL5FAANR0001
KNApSAcK_ID C00013542
NAME Denticulaflavonol;(-)-6-[(2E)-5-(Decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 443776-53-2
FORMULA C35H42O6
EXACTMASS 558.298139076
AVERAGEMASS 558.70438
SMILES c(C(O2)=C(C(c(c(O)3)c2cc(c3CC=C(C)CCC(C5(C)4)C(=C)CCC4C(CCC5)(C)C)O)=O)O)(c1)ccc(c1)O
M END
