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Concept information

Preferred term

SNF4435C  

Type

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

Broader concept

charge

  • 0

formula

  • C28H31NO6

inchi

  • InChI=1S/C28H31NO6/c1-15-11-16(2)24-27(5,12-15)25(19-7-9-20(10-8-19)29(31)32)28(24)13-21(34-14-28)23-17(3)22(30)18(4)26(33-6)35-23/h7-12,21,24-25H,13-14H2,1-6H3/t21-,24+,25-,27-,28+/m1/s1

inchikey

  • DXCYJJKWPZZHNZ-PAWAVCGOSA-N

mass

  • 477.557

monoisotopicmass

  • 477.21514

smiles

  • O=[N+]([O-])C1=CC=C([C@H]2[C@]3([C@H]4C(=CC(=C[C@@]24C)C)C)CO[C@H](C3)C=5OC(OC)=C(C)C(C5C)=O)C=C1

subset

  • 2_STAR

synonym EXACT

  • 2-methoxy-3,5-dimethyl-6-[(1R,2'R,6S,7S,8R)-1,3,5-trimethyl-8-(4-nitrophenyl)spiro[bicyclo[4.2.0]octa-2,4-diene-7,4'-oxolane]-2'-yl]pyran-4-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216362

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