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The Swiss Initiative in Systems Biology
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5-O-methylthujaplicatin

PropertiesImageOccurences in reactions
MNX_IDMNXM147854Image of MNXM147854
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC21H24O7
charge0
mass388.1522
referencemetacycM:CPD-17593
InChIKeyXMLWGUKRPGLJGA-LSDHHAIUSA-N
InChIInChI=1S/C21H24O7/c1-25-17-8-12(4-5-16(17)22)6-14-11-28-21(24)15(14)7-13-9-18(26-2)20(23)19(10-13)27-3/h4-5,8-10,14-15,22-23H,6-7,11H2,1-3H3/t14-,15+/m0/s1
SMILESCOc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(O)c(OC)c2)ccc1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-17593
metacycM:CPD-17593
seed.compound:cpd35654
seedM:cpd35654 		5-O-methylthujaplicatin
seedM:M_cpd35654 secondary/obsolete/fantasy identifier