Mol:FL7AACGA0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8691 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8691 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8691 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8691 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3128 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3128 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7565 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7565 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7565 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7565 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3128 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3128 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2002 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2002 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6439 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6439 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6439 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6439 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2002 0.1452 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -1.2002 0.1452 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
− | -0.0878 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0878 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4792 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4792 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0461 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0461 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0461 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0461 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4792 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4792 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0878 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0878 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6129 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6129 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4252 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4252 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3128 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3128 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0674 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0674 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2178 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2178 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8841 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8841 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5259 -1.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5259 -1.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1716 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1716 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5055 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5055 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8636 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8636 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5980 -0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 -0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1279 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1279 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5055 -0.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5055 -0.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4792 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4792 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7108 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7108 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4252 -1.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4252 -1.7277 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 |
− | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
− | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 34 -6.4509 4.9523 | + | M SBV 1 34 -6.4509 4.9523 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7AACGA0001 | + | ID FL7AACGA0001 |
− | KNApSAcK_ID C00006652 | + | KNApSAcK_ID C00006652 |
− | NAME Idaein;Cyanidin 3-galactoside;Cyanidin 3-O-galactoside | + | NAME Idaein;Cyanidin 3-galactoside;Cyanidin 3-O-galactoside |
− | CAS_RN 27661-36-5 | + | CAS_RN 27661-36-5 |
− | FORMULA C21H21O11 | + | FORMULA C21H21O11 |
− | EXACTMASS 449.108386514 | + | EXACTMASS 449.108386514 |
− | AVERAGEMASS 449.38484 | + | AVERAGEMASS 449.38484 |
− | SMILES C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.8691 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8691 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2002 0.1452 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 -0.0878 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0461 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0878 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 -1.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8841 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5259 -1.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 -1.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -0.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 -0.0315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -1.3152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 -1.7277 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 14 17 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 15 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -6.4509 4.9523 S SKP 8 ID FL7AACGA0001 KNApSAcK_ID C00006652 NAME Idaein;Cyanidin 3-galactoside;Cyanidin 3-O-galactoside CAS_RN 27661-36-5 FORMULA C21H21O11 EXACTMASS 449.108386514 AVERAGEMASS 449.38484 SMILES C(C1Oc(c(c(c4)cc(c(O)c4)O)3)cc(c2[o+1]3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO M END