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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-9472
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9472
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > lsm-9472
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > lsm-9472
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9472
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > lsm-9472
... > 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-9472

Preferred term

lsm-9472  

Type

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

Broader concept

charge

  • 0

formula

  • C33H39N3O5S

inchi

  • InChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24+,30+/m1/s1

inchikey

  • LJWHPXFZVGGEPZ-QEGDFHJFSA-N

mass

  • 589.747

monoisotopicmass

  • 589.26104

smiles

  • C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:98093

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