Mol:FL7AAGGL0059
From Metabolomics.JP
(Difference between revisions)
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| − | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
| − | 50 54 1 0 0 0 0 | + | 50 54 1 0 0 0 0 |
| − | 21 48 1 0 0 0 0 | + | 21 48 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 |
| − | 66 54 1 0 0 0 0 | + | 66 54 1 0 0 0 0 |
| − | 43 55 1 0 0 0 0 | + | 43 55 1 0 0 0 0 |
| − | 67 68 1 1 0 0 0 | + | 67 68 1 1 0 0 0 |
| − | 68 69 1 1 0 0 0 | + | 68 69 1 1 0 0 0 |
| − | 70 69 1 1 0 0 0 | + | 70 69 1 1 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 72 67 1 0 0 0 0 | + | 72 67 1 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 67 75 1 0 0 0 0 | + | 67 75 1 0 0 0 0 |
| − | 68 76 1 0 0 0 0 | + | 68 76 1 0 0 0 0 |
| − | 69 77 1 0 0 0 0 | + | 69 77 1 0 0 0 0 |
| − | 70 65 1 0 0 0 0 | + | 70 65 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0059 | + | ID FL7AAGGL0059 |
| − | KNApSAcK_ID C00014810 | + | KNApSAcK_ID C00014810 |
| − | NAME Preternatin C4 | + | NAME Preternatin C4 |
| − | CAS_RN 215378-83-9 | + | CAS_RN 215378-83-9 |
| − | FORMULA C48H57O29 | + | FORMULA C48H57O29 |
| − | EXACTMASS 1097.298550862 | + | EXACTMASS 1097.298550862 |
| − | AVERAGEMASS 1097.94878 | + | AVERAGEMASS 1097.94878 |
| − | SMILES OC(C8O)C(CO)OC(C8O)Oc(c4)c(O)c(cc4c(c(OC(O7)C(O)C(C(O)C7CO)O)6)[o+1]c(c5c6)cc(O)cc5O)OC(O1)C(O)C(C(O)C1COC(C=Cc(c2)ccc(OC(O3)C(C(O)C(O)C3CO)O)c2)=O)O | + | SMILES OC(C8O)C(CO)OC(C8O)Oc(c4)c(O)c(cc4c(c(OC(O7)C(O)C(C(O)C7CO)O)6)[o+1]c(c5c6)cc(O)cc5O)OC(O1)C(O)C(C(O)C1COC(C=Cc(c2)ccc(OC(O3)C(C(O)C(O)C3CO)O)c2)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
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1.7103 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 2.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 3.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 2.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0059
KNApSAcK_ID C00014810
NAME Preternatin C4
CAS_RN 215378-83-9
FORMULA C48H57O29
EXACTMASS 1097.298550862
AVERAGEMASS 1097.94878
SMILES OC(C8O)C(CO)OC(C8O)Oc(c4)c(O)c(cc4c(c(OC(O7)C(O)C(C(O)C7CO)O)6)[o+1]c(c5c6)cc(O)cc5O)OC(O1)C(O)C(C(O)C1COC(C=Cc(c2)ccc(OC(O3)C(C(O)C(O)C3CO)O)c2)=O)O
M END
