Mol:FLID1CNS0007
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 0.0996 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0996 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4395 0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4395 0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5774 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5774 -1.7095 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 |
− | 8 11 1 0 0 0 0 | + | 8 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 |
− | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 14 20 1 0 0 0 0 | + | 14 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 23 | + | M SBL 1 1 23 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 23 2.0823 -0.9157 | + | M SVB 1 23 2.0823 -0.9157 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1CNS0007 | + | ID FLID1CNS0007 |
− | KNApSAcK_ID C00010006 | + | KNApSAcK_ID C00010006 |
− | NAME (6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan | + | NAME (6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan |
− | CAS_RN 108335-33-7 | + | CAS_RN 108335-33-7 |
− | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
− | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
− | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
− | SMILES COc(c4)c(O)cc(c43)C(C1)C(O3)c(c2)c(cc(O)c2)O1 | + | SMILES COc(c4)c(O)cc(c43)C(C1)C(O3)c(c2)c(cc(O)c2)O1 |
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 24 0 0 0 0 0 0 0 0999 V2000 -2.1256 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 -0.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 0.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5693 1.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 -0.0228 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0996 0.2984 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0996 0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4567 1.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6557 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 -1.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 -0.7093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7967 1.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 0.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 -1.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5774 -1.7095 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 8 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 7 17 1 0 0 0 0 12 17 1 0 0 0 0 1 18 1 0 0 0 0 15 19 1 0 0 0 0 14 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 23 M SMT 1 OCH3 M SVB 1 23 2.0823 -0.9157 S SKP 8 ID FLID1CNS0007 KNApSAcK_ID C00010006 NAME (6aR,11aR)-3,8-Dihydroxy-9-methoxypterocarpan CAS_RN 108335-33-7 FORMULA C16H14O5 EXACTMASS 286.084123558 AVERAGEMASS 286.27936 SMILES COc(c4)c(O)cc(c43)C(C1)C(O3)c(c2)c(cc(O)c2)O1 M END