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Concept information

Preferred term

mariline a2  

Type

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

Broader concept

charge

  • 0

formula

  • C33H43NO5

inchi

  • InChI=1S/C33H43NO5/c1-21(2)11-10-12-23(5)16-18-38-29-20-27-25(7)34(33(35)31(27)32(37-9)24(29)6)28-14-13-26(36-8)19-30(28)39-17-15-22(3)4/h11,13-16,19-20,25H,10,12,17-18H2,1-9H3/b23-16+/t25-/m0/s1

inchikey

  • HKXBQPCKPGEUKH-ZMIGGIFCSA-N

mass

  • 533.709

monoisotopicmass

  • 533.31412

smiles

  • O=C1N(C2=C(OCC=C(C)C)C=C(OC)C=C2)[C@@H](C)C=3C1=C(OC)C(=C(OC/C=C(/CCC=C(C)C)/C)C3)C

subset

  • 2_STAR

synonym EXACT

  • (3S)-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-2-[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]-3,6-dimethyl-3H-isoindol-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200748

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