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Concept information

Preferred term

tan-1030a  

Type

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

Broader concept

charge

  • 0

formula

  • C27H22N4O4

inchi

  • InChI=1S/C27H22N4O4/c1-27-25(34-2)16(29-33)11-19(35-27)30-17-9-5-3-7-13(17)21-22-15(12-28-26(22)32)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,19,25,33H,11-12H2,1-2H3,(H,28,32)/b29-16+/t19-,25-,27+/m1/s1

inchikey

  • XZPCNXORIOQSOG-SWHIWACISA-N

mass

  • 466.497

monoisotopicmass

  • 466.16411

smiles

  • O=C1NCC=2C1=C3C=4N([C@@H]5O[C@](N6C4C2C7=C6C=CC=C7)([C@H](OC)/C(/C5)=N/O)C)C8=C3C=CC=C8

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4E,6R)-4-hydroxyimino-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:217733

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