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Concept information

Preferred term

simvastatin  

Type

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

alt_id

  • CHEBI:45577

charge

  • 0

formula

  • C25H38O5

has_functional_parent

inchi

  • InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

inchikey

  • RYMZZMVNJRMUDD-HGQWONQESA-N

mass

  • 418.56620

monoisotopicmass

  • 418.27192

smiles

  • CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
  • Simvastatin

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9150

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