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Concept information

Preferred term

3 O کافئویل 2 ( بوتیل) هیدروکسی بوتاندیوئیک اسید  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C17H20O9

inchi

  • InChI=1S/C17H20O9/c1-3-9(2)17(25,16(23)24)14(15(21)22)26-13(20)7-5-10-4-6-11(18)12(19)8-10/h4-9,14,18-19,25H,3H2,1-2H3,(H,21,22)(H,23,24)/b7-5+

inchikey

  • PJYWQGQCNUTSKZ-FNORWQNLSA-N

mass

  • 368.338

monoisotopicmass

  • 368.11073

smiles

  • C1=CC(=C(C=C1/C=C/C(OC(C(C(CC)C)(C(=O)O)O)C(O)=O)=O)O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145098

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