Mol:FL7AACGL0108
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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| − | 47 19 1 0 0 0 0 | + | 47 19 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 55 57 1 0 0 0 0 | + | 55 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 2 0 0 0 0 | + | 63 64 2 0 0 0 0 |
| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 62 65 1 0 0 0 0 | + | 62 65 1 0 0 0 0 |
| − | 61 66 1 0 0 0 0 | + | 61 66 1 0 0 0 0 |
| − | 54 50 1 0 0 0 0 | + | 54 50 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0108 | + | ID FL7AACGL0108 |
| − | KNApSAcK_ID C00014764 | + | KNApSAcK_ID C00014764 |
| − | NAME Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside) | + | NAME Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside) |
| − | CAS_RN 215176-97-9 | + | CAS_RN 215176-97-9 |
| − | FORMULA C42H47O24 | + | FORMULA C42H47O24 |
| − | EXACTMASS 935.245727432 | + | EXACTMASS 935.245727432 |
| − | AVERAGEMASS 935.80818 | + | AVERAGEMASS 935.80818 |
| − | SMILES C(C1O)(C(O)C(Oc(c2)c(ccc2c([o+1]3)c(OC(O7)C(O)C(O)C(O)C7CO)cc(c(O)4)c(cc(OC(C(O)6)OC(C(O)C(O)6)COC(C=Cc(c5)cc(O)c(O)c5)=O)c4)3)O)OC1CO)O | + | SMILES C(C1O)(C(O)C(Oc(c2)c(ccc2c([o+1]3)c(OC(O7)C(O)C(O)C(O)C7CO)cc(c(O)4)c(cc(OC(C(O)6)OC(C(O)C(O)6)COC(C=Cc(c5)cc(O)c(O)c5)=O)c4)3)O)OC1CO)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
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13 21 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 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
32 28 1 0 0 0 0
25 18 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 41 1 0 0 0 0
35 42 1 0 0 0 0
43 39 1 0 0 0 0
36 21 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
44 51 1 0 0 0 0
45 52 1 0 0 0 0
46 53 1 0 0 0 0
47 19 1 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 61 1 0 0 0 0
61 62 2 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
64 59 1 0 0 0 0
62 65 1 0 0 0 0
61 66 1 0 0 0 0
54 50 1 0 0 0 0
S SKP 8
ID FL7AACGL0108
KNApSAcK_ID C00014764
NAME Cyanidin 3,3'-di-glucoside-7-(6''-caffeoylglucoside)
CAS_RN 215176-97-9
FORMULA C42H47O24
EXACTMASS 935.245727432
AVERAGEMASS 935.80818
SMILES C(C1O)(C(O)C(Oc(c2)c(ccc2c([o+1]3)c(OC(O7)C(O)C(O)C(O)C7CO)cc(c(O)4)c(cc(OC(C(O)6)OC(C(O)C(O)6)COC(C=Cc(c5)cc(O)c(O)c5)=O)c4)3)O)OC1CO)O
M END
