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YFD

Summary
Name:AMORFRUTIN 2
Formula:C18 H26 O4
Formal charge:0
Formula weight:306.397 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-pentylbenzoic acid
OpenEye OEToolkits1.9.24-methoxy-3-(3-methylbut-2-enyl)-2-oxidanyl-6-pentyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1c(cc(OC)c(c1O)C/C=C(\C)C)CCCCC
InChIInChI1.03InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21)
InChIKeyInChI1.03UJSSSFNGQWZNEN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O
SMILESCACTVS3.385CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC
SMILESOpenEye OEToolkits1.9.2CCCCCc1cc(c(c(c1C(=O)O)O)CC=C(C)C)OC

224931

PDB entries from 2024-09-11

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