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Concept information

Preferred term

zythiostromic acid a  

Type

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

Broader concept

charge

  • 0

formula

  • C20H30O5

inchi

  • InChI=1S/C20H30O5/c1-5-12-11(2)6-7-14-13(12)10-16(22)20(25)18(14,3)9-8-15(21)19(20,4)17(23)24/h5,12-16,21-22,25H,1-2,6-10H2,3-4H3,(H,23,24)/t12-,13-,14-,15+,16+,18+,19+,20-/m0/s1

inchikey

  • OJAGHAXHKQAOGI-CRXBOGTJSA-N

mass

  • 350.455

monoisotopicmass

  • 350.20932

smiles

  • O=C(O)[C@@]1([C@@]2(O)[C@@]([C@@H]3[C@H]([C@H](C(=C)CC3)C=C)C[C@H]2O)(CC[C@H]1O)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,4aR,4bS,8R,8aR,10R,10aS)-8-ethenyl-2,10,10a-trihydroxy-1,4a-dimethyl-7-methylidene-2,3,4,4b,5,6,8,8a,9,10-decahydrophenanthrene-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213178

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