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

Preferred term

montagnuphilone b  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22O9

inchi

  • InChI=1S/C21H22O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-16-7-11-6-13(3-4-17(24)25)29-9-14(11)19(26)21(16,2)28/h5-6,8,16,22-23,28H,3-4,7,9H2,1-2H3,(H,24,25)/t16-,21-/m0/s1

inchikey

  • QWCDUMBXCJTJDP-KKSFZXQISA-N

mass

  • 418.398

monoisotopicmass

  • 418.12638

smiles

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

subset

  • 2_STAR

synonym EXACT

  • 3-[(6S,7S)-6-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-3-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:206465

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