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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 > deacetylisowortmin b
... > 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 > deacetylisowortmin b
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > azaphilone > deacetylisowortmin b

Preferred term

deacetylisowortmin b  

Type

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

Broader concept

charge

  • 0

formula

  • C24H28O8

inchi

  • InChI=1S/C24H28O8/c1-6-7-16-9-15-10-20(24(4,32-14(3)25)22(27)18(15)12-30-16)31-23(28)21-13(2)8-17(29-5)11-19(21)26/h6-8,11,16,20,26H,9-10,12H2,1-5H3/t16-,20+,24-/m0/s1

inchikey

  • KZUVIZCYFSYMDK-GANZUKCXSA-N

mass

  • 444.480

monoisotopicmass

  • 444.17842

smiles

  • O=C1C2=C(C[C@H](C=CC)OC2)C[C@H]([C@@]1(OC(=O)C)C)OC(=O)C3=C(O)C=C(OC)C=C3C

subset

  • 2_STAR

synonym EXACT

  • [(3R,6R,7S)-7-acetyloxy-7-methyl-8-oxo-3-prop-1-enyl-3,4,5,6-tetrahydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220576

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