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Concept information

Preferred term

TM 125  

Type

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

charge

  • 0

formula

  • C21H28O4

inchi

  • InChI=1S/C21H28O4/c1-6-7-8-10-14(2)11-9-12-15(3)20(23)17(5)19-13-18(22)16(4)21(24)25-19/h6-9,11-13,15,17,20,22-23H,1,10H2,2-5H3/b8-7+,12-9+,14-11-/t15-,17+,20+/m0/s1

inchikey

  • PMPNODWLPJTRNO-JBHPKMMWSA-N

mass

  • 344.451

monoisotopicmass

  • 344.19876

smiles

  • O=C1OC(=CC(=C1C)O)[C@H]([C@H](O)[C@H](/C=C/C=C(/C/C=C/C=C)/C)C)C

subset

  • 2_STAR

synonym EXACT

  • 4-hydroxy-6-[(2S,3R,4S,5E,7Z,10E)-3-hydroxy-4,8-dimethyltrideca-5,7,10,12-tetraen-2-yl]-3-methylpyran-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216272

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