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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > indolocarbazole > mlr-52
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > indolocarbazole > mlr-52
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > indolocarbazole > mlr-52

Preferred term

mlr-52  

Type

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

Broader concept

charge

  • 0

formula

  • C27H23N3O5

inchi

  • InChI=1S/C27H23N3O5/c1-27-24(34-2)22(31)23(32)26(35-27)29-15-9-5-3-7-12(15)18-19-14(11-28-25(19)33)17-13-8-4-6-10-16(13)30(27)21(17)20(18)29/h3-10,22-24,26,31-32H,11H2,1-2H3,(H,28,33)/t22-,23+,24+,26+,27-/m1/s1

inchikey

  • CCOPBVQTBWBCIK-IKERNBKFSA-N

mass

  • 469.497

monoisotopicmass

  • 469.16377

smiles

  • O=C1NCC=2C1=C3C=4N([C@H]5O[C@@](N6C4C2C7=C6C=CC=C7)([C@@H](OC)[C@@H]([C@@H]5O)O)C)C8=C3C=CC=C8

subset

  • 2_STAR

synonym EXACT

  • (2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204934

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