Mol:FL2FAAGS0011
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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| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 42 34 2 0 0 0 0 | + | 42 34 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAAGS0011 | + | ID FL2FAAGS0011 |
| − | KNApSAcK_ID C00008211 | + | KNApSAcK_ID C00008211 |
| − | NAME Prunin 6''-p-coumarate | + | NAME Prunin 6''-p-coumarate |
| − | CAS_RN 96686-70-3 | + | CAS_RN 96686-70-3 |
| − | FORMULA C30H28O12 | + | FORMULA C30H28O12 |
| − | EXACTMASS 580.15807636 | + | EXACTMASS 580.15807636 |
| − | AVERAGEMASS 580.53612 | + | AVERAGEMASS 580.53612 |
| − | SMILES c(c(O)1)c(OC(C4O)OC(COC(C=Cc(c5)ccc(O)c5)=O)C(C4O)O)cc(O2)c(C(CC2c(c3)ccc(O)c3)=O)1 | + | SMILES c(c(O)1)c(OC(C4O)OC(COC(C=Cc(c5)ccc(O)c5)=O)C(C4O)O)cc(O2)c(C(CC2c(c3)ccc(O)c3)=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/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.6761 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6761 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1198 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4365 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4365 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1198 -0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 -1.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5491 -1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5491 -0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 -0.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1052 -0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6721 -0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2391 -0.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2391 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6721 0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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40 35 1 0 0 0 0
38 41 1 0 0 0 0
35 42 1 0 0 0 0
42 34 2 0 0 0 0
S SKP 8
ID FL2FAAGS0011
KNApSAcK_ID C00008211
NAME Prunin 6''-p-coumarate
CAS_RN 96686-70-3
FORMULA C30H28O12
EXACTMASS 580.15807636
AVERAGEMASS 580.53612
SMILES c(c(O)1)c(OC(C4O)OC(COC(C=Cc(c5)ccc(O)c5)=O)C(C4O)O)cc(O2)c(C(CC2c(c3)ccc(O)c3)=O)1
M END
