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Concept information

Preferred term

ml-449  

Type

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

charge

  • 0

formula

  • C29H39NO3

inchi

  • InChI=1S/C29H39NO3/c1-4-5-6-7-8-9-19-26-20-13-10-16-24(2)17-11-14-21-27(31)28(32)23-25(3)18-12-15-22-29(33)30-26/h6-18,21-23,26-28,31-32H,4-5,19-20H2,1-3H3,(H,30,33)/b7-6+,9-8+,13-10+,17-11+,18-12+,21-14+,22-15+,24-16+,25-23+

inchikey

  • QUZNSWBEDCHESP-KLYFDHOZSA-N

mass

  • 449.635

monoisotopicmass

  • 449.29299

smiles

  • O=C1NC(CC=CC=C(C=CC=CC(C(C=C(C=CC=C1)C)O)O)C)C/C=C/C=C/CCC

subset

  • 2_STAR

synonym EXACT

  • (3E,5E,7E,11E,13E,15E,17E)-9,10-dihydroxy-7,15-dimethyl-20-[(2E,4E)-octa-2,4-dienyl]-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219952

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