Mol:LBST03010010
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
− | 9.5357 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5357 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.5357 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 9.5357 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 8.6697 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6697 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.8037 4.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8037 4.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.8037 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8037 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6697 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6697 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9377 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9377 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.8037 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8037 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6697 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6697 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9377 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.9377 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.8037 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8037 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9377 -0.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.9377 -0.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.8037 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8037 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6697 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6697 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6697 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6697 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.9866 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9866 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.3988 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3988 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9377 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9377 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.9866 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.9866 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.6776 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.6776 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.3467 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3467 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3904 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3904 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6994 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6994 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7431 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7431 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4123 -3.3624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.4123 -3.3624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 3.4863 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4863 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1033 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1033 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.4018 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4018 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0740 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0740 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1522 -4.0045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1522 -4.0045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0543 -4.6225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0543 -4.6225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7942 -5.2645 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7942 -5.2645 0.0000 F 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 |
− | 2 29 1 6 0 0 0 | + | 2 29 1 6 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 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 |
− | 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 |
− | 12 18 1 1 0 0 0 | + | 12 18 1 1 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 22 1 4 0 0 0 | + | 25 22 1 4 0 0 0 |
− | 19 17 1 1 0 0 0 | + | 19 17 1 1 0 0 0 |
− | 12 19 1 6 0 0 0 | + | 12 19 1 6 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
− | 28 33 1 0 0 0 0 | + | 28 33 1 0 0 0 0 |
− | S SKP 5 | + | S SKP 5 |
− | ID LBST03010010 | + | ID LBST03010010 |
− | FORMULA C28H41F3O2 | + | FORMULA C28H41F3O2 |
− | EXACTMASS 466.30586515600004 | + | EXACTMASS 466.30586515600004 |
− | AVERAGEMASS 466.6191496 | + | AVERAGEMASS 466.6191496 |
− | SMILES C[C@@H](C=CC(C(F)(F)F)C(C)(C)O)[C@H]([C@@](C)31)CC[C@@H](C(CCC3)=CC=C(C2)C(=C)CC[C@@H]2O)1 | + | SMILES C[C@@H](C=CC(C(F)(F)F)C(C)(C)O)[C@H]([C@@](C)31)CC[C@@H](C(CCC3)=CC=C(C2)C(=C)CC[C@@H]2O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 9.5357 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5357 4.7645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6697 5.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 4.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 3.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 3.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 2.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 0.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8037 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 -0.7355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8037 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 -0.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6697 0.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 -0.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 -1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 -1.0445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6776 -1.9955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3467 -2.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3904 -3.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6994 -2.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -2.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 -3.3624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4863 -1.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4018 5.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -1.8761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1522 -4.0045 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -4.6225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -5.2645 0.0000 F 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 2 29 1 6 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 0 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 12 18 1 1 0 0 0 20 21 1 1 0 0 0 22 23 2 0 0 0 0 20 23 1 0 0 0 0 24 25 1 0 0 0 0 25 22 1 4 0 0 0 19 17 1 1 0 0 0 12 19 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 28 1 0 0 0 0 19 20 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 S SKP 5 ID LBST03010010 FORMULA C28H41F3O2 EXACTMASS 466.30586515600004 AVERAGEMASS 466.6191496 SMILES C[C@@H](C=CC(C(F)(F)F)C(C)(C)O)[C@H]([C@@](C)31)CC[C@@H](C(CCC3)=CC=C(C2)C(=C)CC[C@@H]2O)1 M END