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Concept information

Preferred term

monacyclinone b  

Type

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

Broader concept

charge

  • 0

formula

  • C27H27NO6

inchi

  • InChI=1S/C27H27NO6/c1-12-9-16-19(29)11-17-23(22(16)20(30)10-12)26(32)15-6-5-14(25(31)24(15)27(17)33)21-8-7-18(28(3)4)13(2)34-21/h5-6,9-11,13,18,21,29-31H,7-8H2,1-4H3/t13-,18-,21+/m0/s1

inchikey

  • LCNXLRHNCJLJRN-LTBCBRHQSA-N

mass

  • 461.514

monoisotopicmass

  • 461.18384

smiles

  • O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C(O)C=4C3=C(O)C=C(C)C4)[C@@H]5O[C@H]([C@@H](N(C)C)CC5)C

subset

  • 2_STAR

synonym EXACT

  • 9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,5,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215908

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