Mol:FL7AAGGL0052
From Metabolomics.JP
(Difference between revisions)
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| − | 83 90 0 0 0 0 0 0 0 0999 V2000 | + | 83 90 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
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| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
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| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
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| − | 54 61 1 0 0 0 0 | + | 54 61 1 0 0 0 0 |
| − | 40 58 1 0 0 0 0 | + | 40 58 1 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 |
| − | 63 65 1 0 0 0 0 | + | 63 65 1 0 0 0 0 |
| − | 65 66 2 0 0 0 0 | + | 65 66 2 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 2 0 0 0 0 | + | 67 68 2 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 69 70 2 0 0 0 0 | + | 69 70 2 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 72 2 0 0 0 0 | + | 71 72 2 0 0 0 0 |
| − | 72 67 1 0 0 0 0 | + | 72 67 1 0 0 0 0 |
| − | 70 73 1 0 0 0 0 | + | 70 73 1 0 0 0 0 |
| − | 74 75 1 1 0 0 0 | + | 74 75 1 1 0 0 0 |
| − | 75 76 1 1 0 0 0 | + | 75 76 1 1 0 0 0 |
| − | 77 76 1 1 0 0 0 | + | 77 76 1 1 0 0 0 |
| − | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
| − | 78 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
| − | 79 74 1 0 0 0 0 | + | 79 74 1 0 0 0 0 |
| − | 79 80 1 0 0 0 0 | + | 79 80 1 0 0 0 0 |
| − | 74 81 1 0 0 0 0 | + | 74 81 1 0 0 0 0 |
| − | 75 82 1 0 0 0 0 | + | 75 82 1 0 0 0 0 |
| − | 76 83 1 0 0 0 0 | + | 76 83 1 0 0 0 0 |
| − | 62 80 1 0 0 0 0 | + | 62 80 1 0 0 0 0 |
| − | 21 77 1 0 0 0 0 | + | 21 77 1 0 0 0 0 |
| − | 55 22 1 0 0 0 0 | + | 55 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0052 | + | ID FL7AAGGL0052 |
| − | KNApSAcK_ID C00014803 | + | KNApSAcK_ID C00014803 |
| − | NAME Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside);Ternatin D3 | + | NAME Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside);Ternatin D3 |
| − | CAS_RN 215378-79-3 | + | CAS_RN 215378-79-3 |
| − | FORMULA C54H55O29 | + | FORMULA C54H55O29 |
| − | EXACTMASS 1167.282900798 | + | EXACTMASS 1167.282900798 |
| − | AVERAGEMASS 1167.9971 | + | AVERAGEMASS 1167.9971 |
| − | SMILES c(c7)(OC(C(O)8)OC(COC(CC(O)=O)=O)C(O)C8O)c([o+1]c(c76)cc(cc6O)O)c(c3)cc(c(O)c3OC(O4)C(C(O)C(C4COC(=O)C=Cc(c5)ccc(O)c5)O)O)OC(O1)C(C(O)C(C1COC(=O)C=Cc(c2)ccc(O)c2)O)O | + | SMILES c(c7)(OC(C(O)8)OC(COC(CC(O)=O)=O)C(O)C8O)c([o+1]c(c76)cc(cc6O)O)c(c3)cc(c(O)c3OC(O4)C(C(O)C(C4COC(=O)C=Cc(c5)ccc(O)c5)O)O)OC(O1)C(C(O)C(C1COC(=O)C=Cc(c2)ccc(O)c2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
83 90 0 0 0 0 0 0 0 0999 V2000
-1.6660 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6660 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9515 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2370 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2370 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9515 1.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1919 -0.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1919 0.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4774 1.1967 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.9685 1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 0.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3974 1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3974 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6829 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9685 2.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0052
KNApSAcK_ID C00014803
NAME Delphinidin 3-(6-malonylglucoside)-3',5'-di-(6-p-coumaroylglucoside);Ternatin D3
CAS_RN 215378-79-3
FORMULA C54H55O29
EXACTMASS 1167.282900798
AVERAGEMASS 1167.9971
SMILES c(c7)(OC(C(O)8)OC(COC(CC(O)=O)=O)C(O)C8O)c([o+1]c(c76)cc(cc6O)O)c(c3)cc(c(O)c3OC(O4)C(C(O)C(C4COC(=O)C=Cc(c5)ccc(O)c5)O)O)OC(O1)C(C(O)C(C1COC(=O)C=Cc(c2)ccc(O)c2)O)O
M END
