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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > ketone > aromatic ketone > benzophenones > pestalofone d
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > benzophenones > pestalofone d
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > benzophenones > pestalofone d

Preferred term

pestalofone d  

Type

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

Broader concept

charge

  • 0

formula

  • C33H36O10

inchi

  • InChI=1S/C33H36O10/c1-16(2)7-10-33-29(38)18(12-24(36)30(33)43-33)8-9-32(4)15-21-17(3)11-22(34)26(28(21)42-32)27(37)25-20(31(39)41-6)13-19(40-5)14-23(25)35/h7,9,11,13-14,24,29-30,34-36,38H,10,12,15H2,1-6H3/t8?,24-,29+,30-,32+,33+/m0/s1

inchikey

  • IMEWWJOCRJGIRI-XBWSJEIJSA-N

mass

  • 592.641

monoisotopicmass

  • 592.23085

smiles

  • O=C(OC)C1=C(C(O)=CC(=C1)OC)C(=O)C2=C(O)C=C(C)C3=C2O[C@@](C=C=C4[C@@H](O)[C@]5(O[C@H]5[C@H](C4)O)CC=C(C)C)(C)C3

subset

  • 2_STAR

synonym EXACT

  • methyl 2-[(2S)-2-[2-[(1R,2R,5S,6S)-2,5-dihydroxy-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]heptan-3-ylidene]ethenyl]-6-hydroxy-2,4-dimethyl-3H-1-benzouran-7-carbonyl]-3-hydroxy-5-methoxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204825

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