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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 > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9128
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9128
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9128
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > lsm-9128
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9128
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9128
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9128

Preferred term

lsm-9128  

Type

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

Broader concept

charge

  • 0

formula

  • C33H44N4O4

inchi

  • InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29-/m1/s1

inchikey

  • INXMEFHWZGRULI-RLPNJSHFSA-N

mass

  • 560.728

monoisotopicmass

  • 560.33626

smiles

  • C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4CCCCC4)C5=CC=CC=C5N2C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:97749

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