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Chemistry, part 2

Content language

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Concept information

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

Preferred term

deacetylisowortmin a  

Type

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

Broader concept

charge

  • 0

formula

  • C22H26O7

inchi

  • InChI=1S/C22H26O7/c1-5-6-14-8-13-9-18(22(3,26)20(24)16(13)11-28-14)29-21(25)19-12(2)7-15(27-4)10-17(19)23/h5-7,10,14,18,23,26H,8-9,11H2,1-4H3/t14-,18+,22-/m0/s1

inchikey

  • PFQLJDQIFFXTFX-OHOGDBNVSA-N

mass

  • 402.443

monoisotopicmass

  • 402.16785

smiles

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

subset

  • 2_STAR

synonym EXACT

  • [(3R,6R,7S)-7-hydroxy-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:200086

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