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Concept information

Preferred term

Hydnellin B  

Type

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

charge

  • 0

formula

  • C32H34N2O11

has_functional_parent

inchi

  • InChI=1S/C32H34N2O11/c1-6-16(3)15-32(34(42)30(40)25(33-43-5)17(4)7-2)31(41)44-22-14-19(10-13-21(22)45-32)24-28(38)26(36)23(27(37)29(24)39)18-8-11-20(35)12-9-18/h8-14,16-17,35-36,39,42H,6-7,15H2,1-5H3/b33-25+/t16-,17-,32?/m0/s1

inchikey

  • LKOZTADJUQPEKD-NNIDEIGRSA-N

mass

  • 622.627

monoisotopicmass

  • 622.21626

smiles

  • O=C1C(O)=C(C(=O)C(=C1C2=CC=3OC(=O)C(N(O)C(=O)/C(=N/OC)/[C@H](CC)C)(C[C@H](CC)C)OC3C=C2)O)C4=CC=C(O)C=C4

subset

  • 2_STAR

synonym EXACT

  • (2E,3S)-N-[6-[2,5-dihydroxy-4-(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-[(2S)-2-methylbutyl]-3-oxo-1,4-benzodioxin-2-yl]-N-hydroxy-2-methoxyimino-3-methylpentanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202517

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