Mol:FL1C1ANI0018
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8927 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8927 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8927 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8927 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4490 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4490 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0053 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0053 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4490 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4490 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7595 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7595 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3158 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3158 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2034 -0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2034 -0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6424 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6424 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2034 -1.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2034 -1.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6424 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6424 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0898 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0898 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4628 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4628 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4628 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4628 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0898 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0898 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0898 -1.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0898 -1.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5614 0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5614 0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0155 0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0155 0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5681 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5681 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5681 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5681 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0155 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0155 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5681 1.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5681 1.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1679 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1679 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7669 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7669 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3658 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3658 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9636 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9636 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5614 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5614 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9636 1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9636 1.1508 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0018 | + | ID FL1C1ANI0018 |
| − | KNApSAcK_ID C00007126 | + | KNApSAcK_ID C00007126 |
| − | NAME Lespeol | + | NAME Lespeol |
| − | CAS_RN 74174-28-0 | + | CAS_RN 74174-28-0 |
| − | FORMULA C25H26O4 | + | FORMULA C25H26O4 |
| − | EXACTMASS 390.18310931999997 | + | EXACTMASS 390.18310931999997 |
| − | AVERAGEMASS 390.47153999999995 | + | AVERAGEMASS 390.47153999999995 |
| − | SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O | + | SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=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 31 0 0 0 0 0 0 0 0999 V2000
2.8927 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8927 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4490 -0.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0053 0.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4490 0.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7595 -0.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 -0.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2034 -0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2034 -1.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0898 0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4628 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4628 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0898 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0898 -1.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5614 0.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0155 0.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 0.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 -0.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0155 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5681 1.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1679 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7669 0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3658 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9636 0.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5614 0.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9636 1.1508 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
16 17 1 0 0 0 0
5 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL1C1ANI0018
KNApSAcK_ID C00007126
NAME Lespeol
CAS_RN 74174-28-0
FORMULA C25H26O4
EXACTMASS 390.18310931999997
AVERAGEMASS 390.47153999999995
SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O
M END
