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Concept information

Preferred term

aspergilol b  

Type

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

Broader concept

charge

  • 0

formula

  • C34H32O9

inchi

  • InChI=1S/C34H32O9/c1-4-5-6-7-22(28-17(3)10-19(36)12-25(28)37)29-27(39)15-24-31(33(29)41)34(42)30-23(32(24)40)13-21(14-26(30)38)43-20-9-16(2)8-18(35)11-20/h8-15,22,35-39,41H,4-7H2,1-3H3/t22-/m0/s1

inchikey

  • XCDDUYKMEGUGBT-QFIPXVFZSA-N

mass

  • 584.621

monoisotopicmass

  • 584.20463

smiles

  • O=C1C2=C(O)C(=C(O)C=C2C(=O)C=3C1=C(O)C=C(OC4=CC(O)=CC(=C4)C)C3)[C@H](C5=C(O)C=C(O)C=C5C)CCCCC

subset

  • 2_STAR

synonym EXACT

  • 2-[(1S)-1-(2,4-dihydroxy-6-methylphenyl)hexyl]-1,3,8-trihydroxy-6-(3-hydroxy-5-methylphenoxy)anthracene-9,10-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202483

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