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Concept information

Preferred term

اسید لوناتوئیک D  

Type

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

Broader concept

charge

  • 0

formula

  • C21H26O8

inchi

  • InChI=1S/C21H26O8/c1-5-12(2)8-13(3)18(25)29-20(4)16(22)10-14-9-15(6-7-17(23)24)28-11-21(14,27)19(20)26/h6-7,9-10,12-13,27H,5,8,11H2,1-4H3,(H,23,24)/t12-,13-,20+,21+/m0/s1

inchikey

  • RVWFJCFWUHJETP-SPDQCEQOSA-N

mass

  • 406.431

monoisotopicmass

  • 406.16277

smiles

  • O=C1C=C2C=C(OC[C@]2(O)C([C@@]1(OC(=O)[C@H](C[C@H](CC)C)C)C)=O)C=CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • 3-[(7R,8aS)-7-[(2S,4S)-2,4-dimethylhexanoyl]oxy-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-3-yl]prop-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:214771

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