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Concept information

Preferred term

cerbertin  

Type

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

Broader concept

charge

  • 0

formula

  • C32H44O11

inchi

  • InChI=1S/C32H44O11/c1-15-24(36)26(38-4)27(41-16(2)34)29(40-15)42-19-7-9-31(14-33)18(12-19)5-6-21-23(31)25-28(43-25)30(3)20(8-10-32(21,30)37)17-11-22(35)39-13-17/h11,14-15,18-21,23-29,36-37H,5-10,12-13H2,1-4H3/t15-,18+,19-,20+,21+,23+,24-,25-,26+,27-,28-,29-,30-,31+,32-/m0/s1

inchikey

  • NIVUJUXAQJVVHT-SXAYMNBUSA-N

mass

  • 604.686

monoisotopicmass

  • 604.28836

smiles

  • CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3[C@@H]3O[C@@H]3[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1OC(C)=O

subset

  • 2_STAR

synonym EXACT

  • Cerbertin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3555

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