Mol:LBF21406CV07
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 36 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 8.9664 -0.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.9664 -0.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.6574 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6574 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4664 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4664 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2754 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2754 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9664 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9664 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7063 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7063 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0154 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0154 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8074 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8074 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8564 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8564 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6485 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6485 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6974 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6974 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4895 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4895 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5385 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5385 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3305 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3305 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4984 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4984 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5474 -3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5474 -3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3395 -4.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3395 -4.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.3884 -4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3884 -4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6453 -3.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6453 -3.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6942 -4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6942 -4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8324 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8324 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6985 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6985 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8747 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8747 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9236 -6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9236 -6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1716 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1716 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9147 6.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9147 6.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4664 -3.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4664 -3.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9664 0.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9664 0.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0826 -4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0826 -4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3795 4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3795 4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8324 1.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8324 1.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6178 -6.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6178 -6.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2205 6.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2205 6.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 -3.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -3.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4863 -5.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4863 -5.0840 0.0000 O 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 1 0 0 0 0 | + | 2 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 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 2 6 2 0 0 0 0 | + | 2 6 2 0 0 0 0 |
| − | 1 7 1 6 0 0 0 | + | 1 7 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 3 28 2 0 0 0 0 | + | 3 28 2 0 0 0 0 |
| − | 1 29 1 1 0 0 0 | + | 1 29 1 1 0 0 0 |
| − | 6 15 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 17 30 1 6 0 0 0 | + | 17 30 1 6 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 32 2 0 0 0 0 | + | 21 32 2 0 0 0 0 |
| − | 30 23 1 0 0 0 0 | + | 30 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 33 2 0 0 0 0 | + | 23 33 2 0 0 0 0 |
| − | 31 25 1 0 0 0 0 | + | 31 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 34 2 0 0 0 0 | + | 25 34 2 0 0 0 0 |
| − | 20 35 1 0 0 0 0 | + | 20 35 1 0 0 0 0 |
| − | 20 36 2 0 0 0 0 | + | 20 36 2 0 0 0 0 |
| − | 35 27 1 0 0 0 0 | + | 35 27 1 0 0 0 0 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID LBF21406CV07 | + | ID LBF21406CV07 |
| − | FORMULA C27H36O9 | + | FORMULA C27H36O9 |
| − | EXACTMASS 504.23593274999996 | + | EXACTMASS 504.23593274999996 |
| − | AVERAGEMASS 504.56934 | + | AVERAGEMASS 504.56934 |
| − | SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O | + | SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 36 0 0 0 0 0 0 0 0999 V2000
8.9664 -0.6316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6574 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4664 -2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2754 -1.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9664 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7063 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0154 -0.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8074 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8564 0.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6485 1.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6974 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4895 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5385 3.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3305 4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4984 -2.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5474 -3.1788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3395 -4.1570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3884 -4.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -3.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8324 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6985 0.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8747 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9236 -6.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1716 5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9147 6.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4664 -3.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9664 0.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3795 4.8261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8324 1.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6178 -6.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 6.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -3.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 -5.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
1 5 1 0 0 0 0
2 6 2 0 0 0 0
1 7 1 6 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
3 28 2 0 0 0 0
1 29 1 1 0 0 0
6 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
17 30 1 6 0 0 0
14 31 1 0 0 0 0
29 21 1 0 0 0 0
21 22 1 0 0 0 0
21 32 2 0 0 0 0
30 23 1 0 0 0 0
23 24 1 0 0 0 0
23 33 2 0 0 0 0
31 25 1 0 0 0 0
25 26 1 0 0 0 0
25 34 2 0 0 0 0
20 35 1 0 0 0 0
20 36 2 0 0 0 0
35 27 1 0 0 0 0
S SKP 5
ID LBF21406CV07
FORMULA C27H36O9
EXACTMASS 504.23593274999996
AVERAGEMASS 504.56934
SMILES C(C[C@](OC(C)=O)(C=1)C(=CC=C[C@@H](CCC(=O)OC)OC(C)=O)C(=O)C1)=CCCCCCOC(C)=O
M END
