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Concept information

Preferred term

tetraneurin e  

Type

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

charge

  • 0

formula

  • C17H24O6

has_role

inchi

  • InChI=1S/C17H24O6/c1-9-12-5-4-11(8-18)17(21)7-6-13(22-10(2)19)16(17,3)14(12)23-15(9)20/h11-14,18,21H,1,4-8H2,2-3H3/t11-,12+,13+,14-,16+,17-/m1/s1

inchikey

  • CLPRBVIHHFLWQY-SGXNCSQFSA-N

mass

  • 324.36890

monoisotopicmass

  • 324.15729

smiles

  • [H][C@@]12CC[C@H](CO)[C@]3(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@]1([H])OC(=O)C2=C

subset

  • 3_STAR

synonym EXACT

  • (3aS,6R,6aR,9S,9aS,9bR)-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxododecahydroazuleno[4,5-b]furan-9-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9499

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