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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > azaphilone > berkazaphilone a
... > 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 > azaphilone > berkazaphilone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > azaphilone > berkazaphilone a

Preferred term

berkazaphilone a  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O3

inchi

  • InChI=1S/C13H16O3/c1-3-4-10-5-9-6-12(14)8(2)13(15)11(9)7-16-10/h3-6,8,11,13,15H,7H2,1-2H3/b4-3+/t8-,11+,13+/m1/s1

inchikey

  • CHORXUQBNMRTBR-HKBNWMJQSA-N

mass

  • 220.268

monoisotopicmass

  • 220.10994

smiles

  • O1C[C@@]2([C@@H](O)[C@@H](C(=O)C=C2C=C1/C=C/C)C)[H]

subset

  • 2_STAR

synonym EXACT

  • (7S,8R,8aR)-8-hydroxy-7-methyl-3-[(E)-prop-1-enyl]-1,7,8,8a-tetrahydroisochromen-6-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189263

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