Mol:FL7AECGL0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
− | -3.0785 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0785 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0785 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0785 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3641 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6496 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6496 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6496 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6496 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3641 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9351 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9351 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2207 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2207 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2207 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2207 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9351 0.9603 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.9351 0.9603 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | 0.4935 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4935 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2217 0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2217 0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9498 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9498 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2217 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2217 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4935 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4935 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7927 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7927 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6777 2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6777 2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3641 -1.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3641 -1.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5349 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5349 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2217 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2217 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4637 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4637 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1193 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1193 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7817 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7817 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4482 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4482 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7927 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7927 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1302 -2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1302 -2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6501 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6501 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6227 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6227 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2782 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2782 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9407 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9407 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6071 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6071 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9517 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9517 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2891 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2891 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8464 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8464 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6694 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6694 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6471 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6471 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2740 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2740 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6398 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6398 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4455 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4455 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4186 -2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4186 -2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4482 -3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4482 -3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.7927 -0.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7927 -0.6895 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 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
− | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 34 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
− | 29 35 1 0 0 0 0 | + | 29 35 1 0 0 0 0 |
− | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
− | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
− | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
− | 26 39 1 0 0 0 0 | + | 26 39 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
− | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
− | 25 42 1 0 0 0 0 | + | 25 42 1 0 0 0 0 |
− | 30 20 1 0 0 0 0 | + | 30 20 1 0 0 0 0 |
− | 2 43 1 0 0 0 0 | + | 2 43 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AECGL0002 | + | ID FL7AECGL0002 |
− | FORMULA C27H31O16 | + | FORMULA C27H31O16 |
− | EXACTMASS 611.161209944 | + | EXACTMASS 611.161209944 |
− | AVERAGEMASS 611.52544 | + | AVERAGEMASS 611.52544 |
− | SMILES Oc(c(O)1)ccc(c(c2OC(O4)C(O)C(O)C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)[o+1]c(c3)c(c(O)c(c3O)O)c2)c1 | + | SMILES Oc(c(O)1)ccc(c(c2OC(O4)C(O)C(O)C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)[o+1]c(c3)c(c(O)c(c3O)O)c2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -3.0785 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 0.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 -0.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 0.9603 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.4935 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 0.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 2.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7927 0.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6777 2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 -1.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5349 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2217 3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 -2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -2.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7927 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1302 -2.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6501 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 -0.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9517 -0.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 -0.2600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 0.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6471 -0.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -0.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -1.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -2.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -2.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4482 -3.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7927 -0.6895 0.0000 O 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 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 11 1 0 0 0 0 1 17 1 0 0 0 0 14 18 1 0 0 0 0 3 19 1 0 0 0 0 20 8 1 0 0 0 0 15 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 29 1 0 0 0 0 29 35 1 0 0 0 0 34 36 1 0 0 0 0 33 37 1 0 0 0 0 32 38 1 0 0 0 0 26 39 1 0 0 0 0 38 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 30 20 1 0 0 0 0 2 43 1 0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AECGL0002 FORMULA C27H31O16 EXACTMASS 611.161209944 AVERAGEMASS 611.52544 SMILES Oc(c(O)1)ccc(c(c2OC(O4)C(O)C(O)C(O)C(COC(O5)C(C(O)C(O)C5C)O)4)[o+1]c(c3)c(c(O)c(c3O)O)c2)c1 M END