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Concept information

organooxygen compound > napyradiomycin e

Preferred term

napyradiomycin e  

Type

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

charge

  • 0

formula

  • C25H28BrClO5

inchi

  • InChI=1S/C25H28BrClO5/c1-12-6-7-18(26)23(2,3)16(12)11-25-15(10-19(27)24(4,5)32-25)21(30)20-14(22(25)31)8-13(28)9-17(20)29/h8-10,16,18-19,28-29H,1,6-7,11H2,2-5H3/t16-,18+,19-,25-/m1/s1

inchikey

  • VBPKTZGJWVBPSM-PMEUVPMPSA-N

mass

  • 523.850

monoisotopicmass

  • 522.08087

smiles

  • Br[C@@H]1C([C@@H](C(=C)CC1)C[C@@]23OC([C@H](Cl)C=C2C(=O)C4=C(C3=O)C=C(O)C=C4O)(C)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,10aR)-10a-[[(1R,3S)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-3-chloro-6,8-dihydroxy-2,2-dimethyl-3H-benzo[g]chromene-5,10-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224309

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