Mol:FL6F1CNM0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4067 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1101 2.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 2.3187 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 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 22 1.6687 1.4214 | + | M SVB 1 22 1.6687 1.4214 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL6F1CNM0002 | + | ID FL6F1CNM0002 |
− | KNApSAcK_ID C00008779 | + | KNApSAcK_ID C00008779 |
− | NAME 7,4'-Dihydroxy-3'-methoxy-8-methylflavan | + | NAME 7,4'-Dihydroxy-3'-methoxy-8-methylflavan |
− | CAS_RN 84638-51-7 | + | CAS_RN 84638-51-7 |
− | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
− | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
− | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
− | SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c(C)2)c(ccc(O)2)C1 | + | SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c(C)2)c(ccc(O)2)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/ 21 23 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.3187 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 6 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 1.6687 1.4214 S SKP 8 ID FL6F1CNM0002 KNApSAcK_ID C00008779 NAME 7,4'-Dihydroxy-3'-methoxy-8-methylflavan CAS_RN 84638-51-7 FORMULA C17H18O4 EXACTMASS 286.120509064 AVERAGEMASS 286.32241999999997 SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c(C)2)c(ccc(O)2)C1 M END