Mol:FL63FCGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
− | -0.1657 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1657 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1657 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1657 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8802 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8802 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5947 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5947 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5947 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5947 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8802 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8802 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5487 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5487 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2632 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2632 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2632 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2632 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5487 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5487 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9777 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9777 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6501 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3225 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3225 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3226 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3226 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6501 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9777 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9777 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3091 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3091 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6501 2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9610 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9610 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0548 -1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0548 -1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3403 -2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3403 -2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0548 -2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0548 -2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7692 -2.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7692 -2.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8802 -2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8802 -2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5947 -2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5947 -2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2831 2.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2831 2.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1399 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1399 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3184 1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3184 1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6507 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6507 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7938 1.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7938 1.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6152 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6152 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8802 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8802 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5599 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5599 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8899 2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8899 2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9610 1.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9610 1.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5402 1.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5402 1.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8098 0.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8098 0.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 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 |
− | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
− | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
− | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
− | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
− | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
− | 32 29 1 0 0 0 0 | + | 32 29 1 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 26 35 1 0 0 0 0 | + | 26 35 1 0 0 0 0 |
− | 27 36 1 0 0 0 0 | + | 27 36 1 0 0 0 0 |
− | 28 37 1 0 0 0 0 | + | 28 37 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL63FCGS0001 | + | ID FL63FCGS0001 |
− | KNApSAcK_ID C00013253 | + | KNApSAcK_ID C00013253 |
− | NAME Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside | + | NAME Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside |
− | CAS_RN 342643-67-8 | + | CAS_RN 342643-67-8 |
− | FORMULA C24H28O13 | + | FORMULA C24H28O13 |
− | EXACTMASS 524.152990982 | + | EXACTMASS 524.152990982 |
− | AVERAGEMASS 524.47132 | + | AVERAGEMASS 524.47132 |
− | SMILES C(C(C(O)1)OC(Oc(c4O)c(c2c(OC)c4)OC(c(c3)cc(c(c3)O)O)C(C2)OC(C)=O)C(C1O)O)O | + | SMILES C(C(C(O)1)OC(Oc(c4O)c(c2c(OC)c4)OC(c(c3)cc(c(c3)O)O)C(C2)OC(C)=O)C(C1O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.1657 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3225 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3091 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -2.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 2.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 1.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 1.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 1.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 0.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 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 2 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 4 17 1 0 0 0 0 18 15 1 0 0 0 0 8 20 1 6 0 0 0 14 19 1 0 0 0 0 6 24 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 3 32 1 0 0 0 0 32 29 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 S SKP 8 ID FL63FCGS0001 KNApSAcK_ID C00013253 NAME Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside CAS_RN 342643-67-8 FORMULA C24H28O13 EXACTMASS 524.152990982 AVERAGEMASS 524.47132 SMILES C(C(C(O)1)OC(Oc(c4O)c(c2c(OC)c4)OC(c(c3)cc(c(c3)O)O)C(C2)OC(C)=O)C(C1O)O)O M END