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Concept information

Preferred term

euphosalicin  

Type

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

charge

  • 0

formula

  • C42H48N2O15

inchi

  • InChI=1S/C42H48N2O15/c1-23-13-10-16-40(8,57-28(6)48)33(56-38(51)30-14-11-17-43-20-30)19-32(53-25(3)45)24(2)35(54-26(4)46)34-37(55-27(5)47)41(9,22-42(34,36(23)50)58-29(7)49)59-39(52)31-15-12-18-44-21-31/h10-15,17-18,20-21,23,32-35,37H,2,16,19,22H2,1,3-9H3/b13-10+/t23-,32-,33-,34+,35+,37-,40-,41-,42-/m1/s1

inchikey

  • VCNSIDRPGQLVOC-XQFXQYKMSA-N

mass

  • 820.83490

monoisotopicmass

  • 820.30547

smiles

  • [H][C@@]12[C@@H](OC(C)=O)C(=C)[C@@H](C[C@@H](OC(=O)c3cccnc3)[C@@](C)(C/C=C/[C@@H](C)C(=O)[C@]1(C[C@@](C)(OC(=O)c1cccnc1)[C@@H]2OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68185

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