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Concept information

Preferred term

ملیاستاتین 3  

Type

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

Broader concept

charge

  • 0

formula

  • C31H48O6

inchi

  • InChI=1S/C31H48O6/c1-27(2,37-35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1

inchikey

  • UXDZXRKJSZVQHR-GEMWEJHDSA-N

mass

  • 516.70920

monoisotopicmass

  • 516.34509

smiles

  • [H][C@]12CC[C@@]3(C)[C@@]([H])([C@@H](O)C[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C)[C@@H](C/C=C/C(C)(C)OO)C(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70527

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