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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > mycorrhizin b1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > mycorrhizin b1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclohexenones > mycorrhizin b1

Preferred term

mycorrhizin b1  

Type

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

Broader concept

charge

  • 0

formula

  • C14H15BrO4

inchi

  • InChI=1S/C14H15BrO4/c1-4-8(15)7-5-10(16)13-6-9(13)12(2,3)19-14(13,18)11(7)17/h4-5,9,18H,6H2,1-3H3/b8-4-/t9-,13-,14+/m0/s1

inchikey

  • RKJJPBKKHSHSSQ-NMACGQAHSA-N

mass

  • 327.174

monoisotopicmass

  • 326.01537

smiles

  • Br/C(/C=1C(=O)[C@]2(OC(C)(C)[C@H]3[C@@]2(C3)C(C1)=O)O)=C/C

subset

  • 2_STAR

synonym EXACT

  • (1aR,3aS,7aS)-5-[(Z)-1-bromoprop-1-enyl]-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzouran-4,7-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199772

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