Mol:LBST03010041
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
− | 9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.6515 4.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.6515 4.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7855 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2601 -3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.2601 -3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7855 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7855 5.2645 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 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
− | 5 7 2 0 0 0 0 | + | 5 7 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 6 9 2 0 0 0 0 | + | 6 9 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
− | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
− | 12 13 1 6 0 0 0 | + | 12 13 1 6 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
− | 10 16 1 1 0 0 0 | + | 10 16 1 1 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 18 17 1 1 0 0 0 | + | 18 17 1 1 0 0 0 |
− | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
− | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
− | 12 25 1 1 0 0 0 | + | 12 25 1 1 0 0 0 |
− | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
− | 21 27 1 6 0 0 0 | + | 21 27 1 6 0 0 0 |
− | 2 29 1 6 0 0 0 | + | 2 29 1 6 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 4 31 1 1 0 0 0 | + | 4 31 1 1 0 0 0 |
− | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBST03010041 | + | ID LBST03010041 |
− | FORMULA C28H44O3 | + | FORMULA C28H44O3 |
− | EXACTMASS 428.329045274 | + | EXACTMASS 428.329045274 |
− | AVERAGEMASS 428.64716 | + | AVERAGEMASS 428.64716 |
− | SMILES C([C@H](C(C)(C)O)C)=C[C@H]([C@H]([C@@](C)21)CC[C@H]1C(=CC=C(C(=C)3)C[C@H](C[C@H](O)3)O)CCC2)C | + | SMILES C([C@H](C(C)(C)O)C)=C[C@H]([C@H]([C@@](C)21)CC[C@H]1C(=CC=C(C(=C)3)C[C@H](C[C@H](O)3)O)CCC2)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/ 31 33 0 0 0 0 0 0 0 0999 V2000 9.3835 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3835 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5175 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 4.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6515 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6515 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6515 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -0.7355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6515 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5175 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2466 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2382 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9021 -4.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -3.3624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7855 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2496 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 5.2645 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 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 2 0 0 0 0 8 9 1 0 0 0 0 6 9 2 0 0 0 0 10 11 1 0 0 0 0 8 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 11 15 1 0 0 0 0 10 16 1 1 0 0 0 16 17 1 0 0 0 0 18 17 1 1 0 0 0 12 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 18 21 1 0 0 0 0 12 25 1 1 0 0 0 23 26 1 0 0 0 0 21 27 1 6 0 0 0 2 29 1 6 0 0 0 23 30 1 0 0 0 0 4 31 1 1 0 0 0 24 28 1 6 0 0 0 S SKP 5 ID LBST03010041 FORMULA C28H44O3 EXACTMASS 428.329045274 AVERAGEMASS 428.64716 SMILES C([C@H](C(C)(C)O)C)=C[C@H]([C@H]([C@@](C)21)CC[C@H]1C(=CC=C(C(=C)3)C[C@H](C[C@H](O)3)O)CCC2)C M END