Mol:FL3FDKGS0002
From Metabolomics.JP
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44 48 1 0 | 44 48 1 0 | ||
48 49 1 0 | 48 49 1 0 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID | ID | ||
KNApSAcK_ID | KNApSAcK_ID | ||
Revision as of 11:24, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
49 53 0 0 0 0 0 0 0 0999 V2000
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S SKP 9
AUTODRAW FALSE
ID
KNApSAcK_ID
NAME Tricin 4'-O- (threo-beta-guaiacylglyceryl) ether 7-O-glucopyranoside
CAS_RN 462100-43-2
FORMULA C33H36O16
EXACTMASS 688.200335104
AVERAGEMASS 688.62934
SMILES c(O)(c1)c(OC)cc(C(C(Oc(c(OC)5)c(OC)cc(c5)C(O4)=CC(=O)c(c43)c(cc(c3)OC(C(O)2)OC(CO)C(O)C(O)2)O)CO)O)c1
M END
