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Concept information

Preferred term

calphostin c  

Type

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

Broader concept

charge

  • 0

formula

  • C44H38O14

inchi

  • InChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1

inchikey

  • LSUTUUOITDQYNO-NHCUHLMSSA-N

mass

  • 790.774

monoisotopicmass

  • 790.22616

smiles

  • O=C1C2=C(O)C(OC)=C(C[C@H](OC(=O)OC3=CC=C(O)C=C3)C)C=4C2=C(C5=C6C(=C(O)C(=C(C46)C[C@H](OC(=O)C7=CC=CC=C7)C)OC)C(=O)C=C5OC)C(=C1)OC

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[3,10-dihydroxy-12-[(2R)-2-(4-hydroxyphenoxy)carbonyloxypropyl]-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:209558

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