Mol:FL6F1LNM0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3546 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0312 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0312 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7394 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7394 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6270 0.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 0.7935 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
− | 13 18 1 0 0 0 0 | + | 13 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 |
− | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
− | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL6F1LNM0001 | + | ID FL6F1LNM0001 |
− | KNApSAcK_ID C00008775 | + | KNApSAcK_ID C00008775 |
− | NAME 7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan | + | NAME 7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan |
− | CAS_RN 75679-59-3 | + | CAS_RN 75679-59-3 |
− | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
− | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
− | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
− | SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)cc(C)c1O | + | SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)cc(C)c1O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 26 0 0 0 0 0 0 0 0999 V2000 -2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0312 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 -1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 0.7935 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 16 21 1 0 0 0 0 2 22 1 0 0 0 0 6 23 1 0 0 0 0 S SKP 8 ID FL6F1LNM0001 KNApSAcK_ID C00008775 NAME 7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan CAS_RN 75679-59-3 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES O(C(c(c(O)4)cc(c3c4)OCO3)2)c(c(C)1)c(CC2)cc(C)c1O M END