Mol:FL6DAGGS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
− | -1.9974 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9974 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9974 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9974 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4411 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8848 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8848 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8848 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8848 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4411 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3285 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2278 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2278 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2278 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2278 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3285 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7839 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7839 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3509 0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3509 0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9178 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9178 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9178 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9178 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3509 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3509 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7839 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7839 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3285 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5523 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5523 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4847 1.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 1.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4411 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6917 -0.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6917 -0.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3509 2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3509 2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6582 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6582 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1936 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1936 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0237 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0237 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1936 -0.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1936 -0.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6582 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6582 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8280 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8280 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4845 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4845 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7957 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7957 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0644 -2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0644 -2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5523 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5523 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4847 0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 0.4059 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 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 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 |
− | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
− | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
− | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
− | 27 21 1 0 0 0 0 | + | 27 21 1 0 0 0 0 |
− | 13 33 1 0 0 0 0 | + | 13 33 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL6DAGGS0002 | + | ID FL6DAGGS0002 |
− | KNApSAcK_ID C00009021 | + | KNApSAcK_ID C00009021 |
− | NAME Leucodelphinidin 3-O-alpha-L-rhamnopyranoside | + | NAME Leucodelphinidin 3-O-alpha-L-rhamnopyranoside |
− | CAS_RN 76532-04-2 | + | CAS_RN 76532-04-2 |
− | FORMULA C21H24O12 | + | FORMULA C21H24O12 |
− | EXACTMASS 468.126776232 | + | EXACTMASS 468.126776232 |
− | AVERAGEMASS 468.40806 | + | AVERAGEMASS 468.40806 |
− | SMILES C(C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 | + | SMILES C(C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.9974 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2278 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3509 0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3509 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 1.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3509 2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0237 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1936 -0.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4845 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7957 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 -2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 0.4059 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 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 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 18 1 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 8 21 1 0 0 0 0 15 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 21 1 0 0 0 0 13 33 1 0 0 0 0 S SKP 8 ID FL6DAGGS0002 KNApSAcK_ID C00009021 NAME Leucodelphinidin 3-O-alpha-L-rhamnopyranoside CAS_RN 76532-04-2 FORMULA C21H24O12 EXACTMASS 468.126776232 AVERAGEMASS 468.40806 SMILES C(C3OC(O4)C(O)C(O)C(O)C(C)4)(Oc(c2)c(C3O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 M END