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Concept information

Preferred term

داتورمتساید A  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O6

inchi

  • InChI=1S/C28H46O6/c1-15(27(4,34)14-29)10-22(31)16(2)19-6-7-20-25-21(8-9-26(19,20)3)28(5)17(12-23(25)32)11-18(30)13-24(28)33/h12,16,18-25,29-34H,1,6-11,13-14H2,2-5H3/t16-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,28-/m0/s1

inchikey

  • YKNITYKHRVWARB-BSAFZUPGSA-N

mass

  • 478.670

monoisotopicmass

  • 478.32944

smiles

  • [C@@H]1(C[C@@H](CC2=C[C@H]([C@@H]3[C@H](CC[C@]4([C@H]3CC[C@@H]4[C@@H]([C@@H](CC([C@@](CO)(O)C)=C)O)C)C)[C@@]12C)O)O)O

subset

  • 2_STAR

synonym EXACT

  • (1alpha,3beta,7alpha,22R,25S)-Ergosta-5,24(28)-diene-1,3,7,22,25,26-hexol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229935

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