Mol:FL7AACGL0056
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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| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 36 40 1 0 0 0 0 | + | 36 40 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 33 20 1 0 0 0 0 | + | 33 20 1 0 0 0 0 |
| − | 31 42 1 0 0 0 0 | + | 31 42 1 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 44 54 2 0 0 0 0 | + | 44 54 2 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 42 55 1 0 0 0 0 | + | 42 55 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 55 59 2 0 0 0 0 | + | 55 59 2 0 0 0 0 |
| − | 57 60 1 0 0 0 0 | + | 57 60 1 0 0 0 0 |
| − | 28 61 1 0 0 0 0 | + | 28 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 61 63 1 0 0 0 0 | + | 61 63 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 64 66 1 0 0 0 0 | + | 64 66 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0056 | + | ID FL7AACGL0056 |
| − | KNApSAcK_ID C00006827 | + | KNApSAcK_ID C00006827 |
| − | NAME Cyanidin 3-(6''-p-coumarylglucoside)-5-4''',6'''-dimalonylglucoside) | + | NAME Cyanidin 3-(6''-p-coumarylglucoside)-5-4''',6'''-dimalonylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C42H41O24 | + | FORMULA C42H41O24 |
| − | EXACTMASS 929.19877724 | + | EXACTMASS 929.19877724 |
| − | AVERAGEMASS 929.76054 | + | AVERAGEMASS 929.76054 |
| − | SMILES O(C(Oc(c6)c(c(cc6O)4)cc(c(c(c5)ccc(c5O)O)[o+1]4)OC(O2)C(O)C(C(C2COC(C=Cc(c3)ccc(O)c3)=O)O)O)1)C(COC(=O)CC(O)=O)C(C(O)C1O)OC(=O)CC(O)=O | + | SMILES O(C(Oc(c6)c(c(cc6O)4)cc(c(c(c5)ccc(c5O)O)[o+1]4)OC(O2)C(O)C(C(C2COC(C=Cc(c3)ccc(O)c3)=O)O)O)1)C(COC(=O)CC(O)=O)C(C(O)C1O)OC(=O)CC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 71 0 0 0 0 0 0 0 0999 V2000
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20 8 1 0 0 0 0
15 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 19 1 0 0 0 0
32 33 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 32 1 0 0 0 0
32 38 1 0 0 0 0
37 39 1 0 0 0 0
36 40 1 0 0 0 0
35 41 1 0 0 0 0
33 20 1 0 0 0 0
31 42 1 0 0 0 0
41 43 1 0 0 0 0
45 46 2 0 0 0 0
46 47 1 0 0 0 0
47 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 2 0 0 0 0
52 47 1 0 0 0 0
50 53 1 0 0 0 0
44 45 1 0 0 0 0
44 54 2 0 0 0 0
43 44 1 0 0 0 0
42 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
55 59 2 0 0 0 0
57 60 1 0 0 0 0
28 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
S SKP 8
ID FL7AACGL0056
KNApSAcK_ID C00006827
NAME Cyanidin 3-(6''-p-coumarylglucoside)-5-4''',6'''-dimalonylglucoside)
CAS_RN -
FORMULA C42H41O24
EXACTMASS 929.19877724
AVERAGEMASS 929.76054
SMILES O(C(Oc(c6)c(c(cc6O)4)cc(c(c(c5)ccc(c5O)O)[o+1]4)OC(O2)C(O)C(C(C2COC(C=Cc(c3)ccc(O)c3)=O)O)O)1)C(COC(=O)CC(O)=O)C(C(O)C1O)OC(=O)CC(O)=O
M END
