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Concept information

Preferred term

کالفوستین A  

Type

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

Broader concept

charge

  • 0

formula

  • C44H38O12

inchi

  • InChI=1S/C44H38O12/c1-21(55-43(49)23-13-9-7-10-14-23)17-25-31-32-26(18-22(2)56-44(50)24-15-11-8-12-16-24)42(54-6)40(48)34-28(46)20-30(52-4)36(38(32)34)35-29(51-3)19-27(45)33(37(31)35)39(47)41(25)53-5/h7-16,19-22,47-48H,17-18H2,1-6H3

inchikey

  • VUBUMFQDTQGEKS-UHFFFAOYSA-N

mass

  • 758.776

monoisotopicmass

  • 758.23633

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207325

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