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

Preferred term

rutilin a  

Type

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

Broader concept

charge

  • 0

formula

  • C44H40O16

inchi

  • InChI=1S/C44H40O16/c1-21-12-25(46)16-33(48)36(21)41(53)59-35-15-24-14-27(57-19-31(24)38(50)43(35,4)55)8-6-10-29-30-18-28(9-7-11-56-23(3)45)58-20-32(30)40(52)44(5,39(29)51)60-42(54)37-22(2)13-26(47)17-34(37)49/h6-10,12-14,16-18,35,46-49,55H,11,15,19-20H2,1-5H3/b8-6+,9-7+,29-10-/t35-,43-,44?/m1/s1

inchikey

  • OQKLHNURLMVVRL-LJNAWNPJSA-N

mass

  • 824.788

monoisotopicmass

  • 824.23164

smiles

  • O=C1/C(/C2=C(COC(=C2)/C=C/COC(=O)C)C(C1(OC(=O)C3=C(O)C=C(O)C=C3C)C)=O)=C/C=C/C=4OCC=5C(=O)[C@@](O)(C)[C@@H](CC5C4)OC(=O)C6=C(O)C=C(O)C=C6C

subset

  • 2_STAR

synonym EXACT

  • [(6R,7R)-3-[(E,3Z)-3-[3-[(E)-3-acetyloxyprop-1-enyl]-7-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-methyl-6,8-dioxo-1H-isochromen-5-ylidene]prop-1-enyl]-7-hydroxy-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200460

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