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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > (z)-pseudoxylallemycin f
organooxygen compound > (z)-pseudoxylallemycin f

Preferred term

(z)-pseudoxylallemycin f  

Type

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

Broader concept

charge

  • 0

formula

  • C40H54N4O7

has_functional_parent

inchi

  • InChI=1S/C40H54N4O7/c1-9-11-19-50-30-16-13-28(14-17-30)23-32-39(48)43(7)35(22-27(5)6)38(47)42-33(40(49)44(8)34(21-26(3)4)37(46)41-32)24-29-15-18-31(25-36(29)45)51-20-12-10-2/h10-18,25-27,32-35,45H,1,19-24H2,2-8H3,(H,41,46)(H,42,47)/b12-10-/t32-,33-,34-,35-/m0/s1

inchikey

  • VQZBTHQWJRKXES-GZQQWLEASA-N

mass

  • 702.893

monoisotopicmass

  • 702.39925

smiles

  • O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=C(O)C=C(OC/C=C/C)C=C2)=O)CC(C)C)C)CC3=CC=C(OCC=C=C)C=C3)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6S,9S,12S)-3-[(4-buta-2,3-dienoxyphenyl)methyl]-9-[[4-[(Z)-but-2-enoxy]-2-hydroxyphenyl]methyl]-1,7-dimethyl-6,12-bis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215673

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