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Concept information

Preferred term

کالفوستین I  

Type

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

Broader concept

charge

  • 0

formula

  • C44H38O14

inchi

  • InChI=1S/C44H38O14/c1-19(57-43(51)21-7-11-23(45)12-8-21)15-25-31-32-26(16-20(2)58-44(52)22-9-13-24(46)14-10-22)42(56-6)40(50)34-28(48)18-30(54-4)36(38(32)34)35-29(53-3)17-27(47)33(37(31)35)39(49)41(25)55-5/h7-14,17-20,45-46,49-50H,15-16H2,1-6H3

inchikey

  • HSJXAUQPKRJJOU-UHFFFAOYSA-N

mass

  • 790.774

monoisotopicmass

  • 790.22616

smiles

  • O=C1C2=C(O)C(OC)=C(CC(OC(=O)C3=CC=C(O)C=C3)C)C=4C2=C(C5=C6C(=C(O)C(=C(C46)CC(OC(=O)C7=CC=C(O)C=C7)C)OC)C(=O)C=C5OC)C(=C1)OC

subset

  • 2_STAR

synonym EXACT

  • 1-[3,10-dihydroxy-12-[2-(4-hydroxybenzoyl)oxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl 4-hydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209588

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