Mol:FL7ARXGL0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 21 28 2 0 0 0 0 | + | 21 28 2 0 0 0 0 |
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− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
− | 32 21 1 0 0 0 0 | + | 32 21 1 0 0 0 0 |
− | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
− | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
− | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
− | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
− | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
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− | 40 35 1 0 0 0 0 | + | 40 35 1 0 0 0 0 |
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− | 36 45 1 0 0 0 0 | + | 36 45 1 0 0 0 0 |
− | 22 38 1 0 0 0 0 | + | 22 38 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL7ARXGL0005 | + | ID FL7ARXGL0005 |
− | KNApSAcK_ID C00011188 | + | KNApSAcK_ID C00011188 |
− | NAME Malvidin 3-glucoside-4-vinylcatechol | + | NAME Malvidin 3-glucoside-4-vinylcatechol |
− | CAS_RN 403982-47-8 | + | CAS_RN 403982-47-8 |
− | FORMULA C31H29O14 | + | FORMULA C31H29O14 |
− | EXACTMASS 625.155730636 | + | EXACTMASS 625.155730636 |
− | AVERAGEMASS 625.5535600000001 | + | AVERAGEMASS 625.5535600000001 |
− | SMILES C(C6O)(C(OC(C6O)Oc(c4c(c5)cc(OC)c(O)c(OC)5)c(C=2)c(c1[o+1]4)c(OC2c(c3)ccc(O)c3O)cc(c1)O)CO)O | + | SMILES C(C6O)(C(OC(C6O)Oc(c4c(c5)cc(OC)c(O)c(OC)5)c(C=2)c(c1[o+1]4)c(OC2c(c3)ccc(O)c3O)cc(c1)O)CO)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/ 45 50 0 0 0 0 0 0 0 0999 V2000 -1.3533 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 -0.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0569 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7606 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6496 1.7074 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 0.8374 1.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 1.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 1.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 2.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 1.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 0.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 3.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 3.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6259 2.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6733 1.4902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3337 1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -2.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -2.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -2.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3533 -3.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -3.3948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4684 -2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1977 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 -0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2746 -0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5452 -0.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0916 -1.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 -2.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -1.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 -2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 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 1 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 3 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 9 20 1 0 0 0 0 1 21 1 0 0 0 0 11 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 1 0 0 0 0 17 25 1 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 21 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 21 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 35 36 1 1 0 0 0 36 37 1 1 0 0 0 38 37 1 1 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 35 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 37 44 1 0 0 0 0 36 45 1 0 0 0 0 22 38 1 0 0 0 0 S SKP 8 ID FL7ARXGL0005 KNApSAcK_ID C00011188 NAME Malvidin 3-glucoside-4-vinylcatechol CAS_RN 403982-47-8 FORMULA C31H29O14 EXACTMASS 625.155730636 AVERAGEMASS 625.5535600000001 SMILES C(C6O)(C(OC(C6O)Oc(c4c(c5)cc(OC)c(O)c(OC)5)c(C=2)c(c1[o+1]4)c(OC2c(c3)ccc(O)c3O)cc(c1)O)CO)O M END